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:5
Name:2,4,6-Trimethylphenol
Description:InChI code was generated with JChem for Excel
Labels:
CAS:527-60-6
InChi Code:InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
N

experimental value

N

Eq4: Model for toxicants (Training set)

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