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:74
Name:Cyclohexene
Description:
Labels:alkenes
CAS:110-83-8
InChi Code:InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2

Properties

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

ValueSource or prediction
12.29

experimental value

12.13

Eq1: Full model (Training set)

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