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:87
Name:2,6-Di(tert)butyl-4-methylphenol
Description:InChI code was generated with JChem for Excel
Labels:
CAS:128-37-0
InChi Code:InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

Properties

Mechanism: Mechanism of aquatic toxicity i

ValueSource or prediction
N

experimental value

N

Eq4: Model for toxicants (Training set)