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:65
Name:Bicyclo(2,2,1)-2,5-heptadiene
Description:
Labels:
CAS:121-46-0
InChi Code:InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2

Properties

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

ValueSource or prediction
11.99

experimental value

12.84

Model: Model for organic pollutants (Training set)