10967/172 - QDB Compounds

QsarDB Repository

Papa, E.; Gramatica, P. Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals. SAR QSAR Environ. Res. 2008, 19, 655–668.

Compound

ID:66
Name:Pyrrole
Description:
Labels:heterocycles
CAS:109-97-7
InChi Code:InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H

Properties

pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i

ValueSource or prediction
10.34

experimental value

10.93

Eq1: Full model (Training set)

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