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: | 635 | |
|---|---|---|
| Name: | 7,12-dimethyltetraphene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 7,12-Dimethylbenz[a]anthracene | |
| Labels: | ||
| CAS: | 57-97-6 | |
| InChi Code: | InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 5.36 |
experimental value |
| 5.4648 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1020510 | US EPA CompTox Dashboard |