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: | 1638 | |
|---|---|---|
| Name: | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Solketal | |
| Labels: | ||
| CAS: | 100-79-8 | |
| InChi Code: | InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 0.9 |
experimental value |
| 1.9566 |
Tab2.Model_1: P. promelas LC50 (Training set) |