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:47
Name:Methoxybenzene
Description:
Labels:ethers
CAS:100-66-3
InChi Code:InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Properties

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

ValueSource or prediction
15.68

experimental value

15.11

Eq1: Full model (Training set)

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