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:1732
Name:N,N-diphenylformamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Diphenylformamide
Labels:
CAS:607-00-1
InChi Code:InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H

Properties

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

ValueSource or prediction
3.81

experimental value

4.8259

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

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