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: | 1831 | |
|---|---|---|
| Name: | 1,1,1-trichloro-2-methylpropan-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1,1-Trichloro-2-methyl-2-propanoI | |
| Labels: | ||
| CAS: | 6001-64-5 | |
| InChi Code: | InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.12 |
experimental value |
| 3.1264 |
Tab2.Model_1: P. promelas LC50 (Training set) |