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: | 1451 | |
|---|---|---|
| Name: | 2,2',3,3'-tetrachloro-[1,1'-biphenyl]-4,4'-diamine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'-tetrachloro-4.4'-diaminodiphenylmethan | |
| Labels: | ||
| CAS: | 42240-73-3 | |
| InChi Code: | InChI=1S/C12H8Cl4N2/c13-9-5(1-3-7(17)11(9)15)6-2-4-8(18)12(16)10(6)14/h1-4H,17-18H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.275825461 |
experimental value |
| 0.5834 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |