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: | 683 | |
|---|---|---|
| Name: | 2-methylnaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. 2-methyl- | |
| Labels: | ||
| CAS: | 91-57-6 | |
| InChi Code: | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.52 |
experimental value |
| 3.3638 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.880825461 |
experimental value |
| 0.1865 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020878 | US EPA CompTox Dashboard |