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: | 942 | |
|---|---|---|
| Name: | chrysen-6-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 6-Aminochrysene | |
| Labels: | ||
| CAS: | 2642-98-0 | |
| InChi Code: | InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 5.21 |
experimental value |
| 4.522 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70181017 | US EPA CompTox Dashboard |