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: | 1674 | |
|---|---|---|
| Name: | 2,2,2-trichloroethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,2-Trichloroethanol | |
| Labels: | ||
| CAS: | 115-20-8 | |
| InChi Code: | InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.7 |
experimental value |
| 2.6111 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021950 | US EPA CompTox Dashboard |