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:71
Name:2-Phenyl-3-butyn-2-ol
Description:InChI code was generated with JChem for Excel
Labels:
CAS:127-66-2
InChi Code:InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
R

experimental value

N

Eq4: Model for toxicants (Training set)

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