10967/168 - QDB Compounds

QsarDB Repository

Ren, S.; Schultz, T. W. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors. Toxicol. Lett. 2002, 129, 151–160.

Compound

ID:64
Name:1,4-Dinitrobenzene
Description:InChI code was generated with JChem for Excel
Labels:
CAS:100-25-4
InChi Code:InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
R

experimental value

R

Eq4: Model for toxicants (Training set)

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