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:76
Name:Azulene
Description:
Labels:
CAS:275-51-4
InChi Code:InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

Properties

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

ValueSource or prediction
9.41

experimental value

9.84

Model: Model for organic pollutants (Training set)

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