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: | 1753 | |
|---|---|---|
| Name: | (5R)-5-hexyloxolan-2-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: g-Decanolactone | |
| Labels: | ||
| CAS: | 706-14-9 | |
| InChi Code: | InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.98 |
experimental value |
| 4.4831 |
Tab2.Model_1: P. promelas LC50 (Training set) |