ID: | 299 | |
---|---|---|
Name: | 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate | |
Description: | ||
Labels: | Training | |
CAS: | 122-32-7 | |
InChi Code: | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27- |
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) |
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 |
---|---|
2.537 |
experimental value |