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: | 497 | |
|---|---|---|
| Name: | 1,3,5-trichlorobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.3.5-trichloro- | |
| Labels: | ||
| CAS: | 108-70-3 | |
| InChi Code: | InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.85 |
experimental value |
| 2.9815 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 1.9693 |
experimental value |
| 1.891 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.186825461 |
experimental value |
| 0.8899 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026195 | US EPA CompTox Dashboard |