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:75
Name:2-{[(2S)-1-(4-phenoxyphenoxy)propan-2-yl]oxy}pyridine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyriproxyfen
Labels:
CAS:95737-68-1
InChi Code:InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3/t16-/m0/s1

Properties

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

ValueSource or prediction
5.9

experimental value

5.9186

Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)