ID: | 54 | |
---|---|---|
Name: | N-{2-methyl-4-[3-methyl-4-(3-oxobutanamido)phenyl]phenyl}-3-oxobutanamide | |
Description: | ||
Labels: | Training | |
CAS: | 91-96-3 | |
InChi Code: | InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) |
BCF_class: Experimental BCF class (nB - non-bio-accumulative, B - bioaccumulative)
Value | Source or prediction |
---|---|
nB |
experimental value |
nB |
Tab1.Model1: Imbalanced model towards nB-compounds (Training set) |
nB |
Tab1.Model1: Imbalanced model towards nB-compounds (Out of bag set) |
nB |
Tab1.Model2: Balanced model (Training set) |
nB |
Tab1.Model2: Balanced model (Out of bag set) |
nB |
Tab1.Model3: Imbalanced model towards B-compounds (Training set) |
nB |
Tab1.Model3: Imbalanced model towards B-compounds (Out of bag set) |
logBCF: Experimental logarithmic BCF
Value | Source or prediction |
---|---|
-0.247 |
experimental value |