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: | 1763 | |
|---|---|---|
| Name: | (1R,2S)-1,2-dichlorocyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Trans-1,2-dichlorocyclohexane | |
| Labels: | ||
| CAS: | 822-86-6 | |
| InChi Code: | InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6+ |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.92 |
experimental value |
| 3.5462 |
Tab2.Model_1: P. promelas LC50 (Training set) |