ID: | 793 | |
---|---|---|
Name: | (2S,6R)-4-{2-[(4-tert-butylphenyl)methyl]propyl}-2,6-dimethylmorpholine | |
Description: | ||
Labels: | Training | |
CAS: | 67564-91-4 | |
InChi Code: | InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+ |
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) |
B |
Tab1.Model1: Imbalanced model towards nB-compounds (Out of bag set) |
B |
Tab1.Model2: Balanced model (Training set) |
B |
Tab1.Model2: Balanced model (Out of bag set) |
B |
Tab1.Model3: Imbalanced model towards B-compounds (Training set) |
B |
Tab1.Model3: Imbalanced model towards B-compounds (Out of bag set) |
logBCF: Experimental logarithmic BCF
Value | Source or prediction |
---|---|
2.831 |
experimental value |