C38h37n3o8 tsy mbola notendrena
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 663.72 | - |
Fahalemena (nambara) | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 8.27 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC2) CC = CC4) CC = C (OC) C = C (OC) C = C (OC) C = C6) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C
Mitsiky i Isomeric
C (OC [C @ avy] 1o [C @@ h] (C [C [C [C (C (C (NCC3 = CC = C (OC) NC2 = C (OC) C = C (OC) C = C5 = CC = CC = CC = C 6
Inchi
Inchi = 1s / c38h37n3o8 / c1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,28-15-19-30 (47-2) 20-16-28) 48-24-33-32 (42-24 (49-33) 4 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22-25-9-5-3-6-10-25 / H3-20 232h, 21-22,24h2,1-22,24h2,1-22,24h2,1-22,44, (H, 40,43) (H, 40,44,45) / t32-
, 33 +, 34 + / M0 / S1
Inchi Key
Nzbgrvlzispurb-lbfzijhgsa-n
Fananana misy |
niteraka |
Fananana misy |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 5250 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5250 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5260 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5260 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5250 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5200 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4720 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 2460 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 466 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 96.9 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 16000 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 16000 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 16000 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 16000 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 16000 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 15800 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 14400 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 7510 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1420 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 296 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 5.20 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 5.20 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 5.20 | PH 3; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
LogD | 5.20 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 5.20 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 5.19 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 5.15 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 4.87 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 4.15 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 3.46 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 9.3 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.1 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.0 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.1 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.1 x 10-5 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.4 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Lanjan'ny molekiola | 663.72 | ||
pka | 8.27 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -1.66 ± 0.20 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 508.6 ± 3.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 13 | (1) ACD | |
H Mpanaja | 11 | (1) ACD | |
H mpamatsy vola | 3 | (1) ACD | |
H Donor / Accas Sum | 14 | (1) ACD | |
Logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 663.72 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 136 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR