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:1710
Name:2,3-dihydro-1-benzofuran
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3-Dihydrobenzofuran
Labels:
CAS:496-16-2
InChi Code:InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2

Properties

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

ValueSource or prediction
3.17

experimental value

3.7276

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

Links to External Resources