10967/180 - QDB Compounds

QsarDB Repository

Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

ID:65
Name:quinoline
Description:
Labels:Training
CAS:91-22-5
InChi Code:InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.61

experimental value

0.84

Eq1: Full Model (Training set)

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