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: | 1800 | |
|---|---|---|
| Name: | (1S,2S)-2-phenylcyclohexan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Trans-2-phenyl-1-cyclohexanol | |
| Labels: | ||
| CAS: | 2362-61-0 | |
| InChi Code: | InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.6 |
experimental value |
| 4.4088 |
Tab2.Model_1: P. promelas LC50 (Training set) |