10967/177 - QDB Compounds

QsarDB Repository

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:1806
Name:[(2S)-oxolan-2-yl]methyl 2-methylprop-2-enoate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetrahydrofurfuryl methacrylate
Labels:
CAS:2455-24-5
InChi Code:InChI=1S/C9H14O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h8H,1,3-6H2,2H3/t8-/m0/s1

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
3.69

experimental value

3.5646

Tab2.Model_1: P. promelas LC50 (Training set)