ID: | 248 | |
---|---|---|
Name: | 2-[(2-cyanoethyl)({4-[(E)-2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]ethyl benzoate | |
Description: | ||
Labels: | Validation | |
CAS: | 40690-89-9 | |
InChi Code: | InChI=1S/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2/b27-26+ |
BCF_class: Experimental BCF class (nB - non-bio-accumulative, B - bioaccumulative)
Value | Source or prediction |
---|---|
nB |
experimental value |
B |
Tab1.Model1: Imbalanced model towards nB-compounds (Validation set) |
nB |
Tab1.Model2: Balanced model (Validation set) |
B |
Tab1.Model3: Imbalanced model towards B-compounds (Validation set) |
logBCF: Experimental logarithmic BCF
Value | Source or prediction |
---|---|
0.829 |
experimental value |