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: | 840 | |
|---|---|---|
| Name: | anthracen-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Aminoanthracene | |
| Labels: | ||
| CAS: | 613-13-8 | |
| InChi Code: | InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.45 |
experimental value |
| 3.6676 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2024458 | US EPA CompTox Dashboard |