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: | 1607 | |
|---|---|---|
| Name: | (3S)-3-methylpent-1-yn-3-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methyl-1-pentyn-3-ol | |
| Labels: | ||
| CAS: | 77-75-8 | |
| InChi Code: | InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 1.91 |
experimental value |
| 2.8591 |
Tab2.Model_1: P. promelas LC50 (Training set) |