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:1851
Name:2,2,5,5-tetramethyloxolane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,5,5-Tetramethyltetrahydrofuran
Labels:
CAS:15045-43-9
InChi Code:InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3

Properties

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

ValueSource or prediction
2.88

experimental value

2.9185

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

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