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: | 702 | |
|---|---|---|
| Name: | 3,4-dichlorophenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.4-dichlorophenol | |
| Labels: | ||
| CAS: | 95-77-2 | |
| InChi Code: | InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.09 |
experimental value |
| 2.317 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.919174539 |
experimental value |
| -0.5018 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7025005 | US EPA CompTox Dashboard |