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: | 1796 | |
|---|---|---|
| Name: | (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: (1R,2S,5R)-(-)-Menthol | |
| Labels: | ||
| CAS: | 2216-51-5 | |
| InChi Code: | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.92 |
experimental value |
| 3.6413 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022180 | US EPA CompTox Dashboard |