10967/201 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.

Compound

ID:10
Name:1-Chloroethene
Description:
Labels:
CAS:75-01-4
InChi Code:InChI=1S/C2H3Cl/c1-2-3/h2H,1H2

Properties

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

ValueSource or prediction
15.37

experimental value

14.83

Model: Model for organic pollutants (Training set)

Links to External Resources