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: | 889 | |
|---|---|---|
| Name: | (anthracen-9-yl)methanol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 9-Anthracenemethanol | |
| Labels: | ||
| CAS: | 1468-95-7 | |
| InChi Code: | InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.61 |
experimental value |
| 3.4901 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1049221 | US EPA CompTox Dashboard |