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: | 774 | |
|---|---|---|
| Name: | 4-[(4-aminophenyl)sulfanyl]aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Thiodianiline | |
| Labels: | ||
| CAS: | 139-65-1 | |
| InChi Code: | InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.04 |
experimental value |
| 3.3429 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021344 | US EPA CompTox Dashboard |