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: | 577 | |
|---|---|---|
| Name: | 2,3-dimethylnaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3-dimethylnaphthalene | |
| Labels: | ||
| CAS: | 581-40-8 | |
| InChi Code: | InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.08 |
experimental value |
| 3.5965 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.1179 |
experimental value |
| 0.6021 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.030825461 |
experimental value |
| 0.3165 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2060383 | US EPA CompTox Dashboard |