Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1121 | |
|---|---|---|
| Name: | 1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: o.p'-DDD | |
| Labels: | ||
| CAS: | 53-19-0 | |
| InChi Code: | InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H/t13-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.650825461 |
experimental value |
| 2.0945 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |