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:34
Name:4,6-Dinitro-o-cresol
Description:InChI code was generated with JChem for Excel
Labels:
CAS:534-52-1
InChi Code:InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,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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