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:1755
Name:N,N-dibutylformamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Dibutylformamide
Labels:
CAS:761-65-9
InChi Code:InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3

Properties

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

ValueSource or prediction
3.25

experimental value

3.4696

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

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