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: | 445 | |
|---|---|---|
| Name: | 1-methylnaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Methylnaphthalene | |
| Labels: | ||
| CAS: | 90-12-0 | |
| InChi Code: | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.36 |
experimental value |
| 3.3724 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.1179 |
experimental value |
| 0.58 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020877 | US EPA CompTox Dashboard |