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:65
Name:2,4-Dinitrotoluene
Description:InChI code was generated with JChem for Excel
Labels:
CAS:121-14-2
InChi Code:InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
R

experimental value

R

Eq4: Model for toxicants (Training set)

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