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:100
Name:Cycloheptene
Description:
Labels:
CAS:628-92-2
InChi Code:InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2

Properties

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

ValueSource or prediction
12.32

experimental value

12.3

Model: Model for organic pollutants (Validation set)

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