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: | 767 | |
|---|---|---|
| Name: | tetrachloroethene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetrachloroethylene | |
| Labels: | ||
| CAS: | 127-18-4 | |
| InChi Code: | InChI=1S/C2Cl4/c3-1(4)2(5)6 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4 |
experimental value |
| 3.881 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
| 2.2671 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.879174539 |
experimental value |
| 0.0258 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021319 | US EPA CompTox Dashboard |