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: | 865 | |
|---|---|---|
| Name: | 9-methylanthracene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 9-methylanthracene | |
| Labels: | ||
| CAS: | 779-02-2 | |
| InChi Code: | InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.81 |
experimental value |
| 4.29 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.225825461 |
experimental value |
| 0.3478 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3061134 | US EPA CompTox Dashboard |