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: | 676 | |
|---|---|---|
| Name: | 1,2,3-trichlorobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.2.3-trichloro- | |
| Labels: | ||
| CAS: | 87-61-6 | |
| InChi Code: | InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.29 |
experimental value |
| 2.996 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.920825461 |
experimental value |
| 0.8999 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026193 | US EPA CompTox Dashboard |