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: | 651 | |
|---|---|---|
| Name: | tribromomethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methane. tribromo- | |
| Labels: | ||
| CAS: | 75-25-2 | |
| InChi Code: | InChI=1S/CHBr3/c2-1(3)4/h1H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.2 |
experimental value |
| 2.5151 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.704174539 |
experimental value |
| -0.6802 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021374 | US EPA CompTox Dashboard |