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: | 722 | |
|---|---|---|
| Name: | 4-[(4-aminophenyl)methyl]aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'Methylene dianiline | |
| Labels: | ||
| CAS: | 101-77-9 | |
| InChi Code: | InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.99 |
experimental value |
| 3.2129 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022422 | US EPA CompTox Dashboard |