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:70
Name:4-Pentyn-2-ol
Description:InChI code was generated with JChem for Excel
Labels:
CAS:2117-11-5
InChi Code:InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
R

experimental value

R

Eq4: Model for toxicants (Training set)

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