10967/195 - QDB Compounds

QsarDB Repository

Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.

Compound

ID:Tab1_27
Name:Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
Description:
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

pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

ValueSource or prediction
2.3

experimental value

2.37

Eq.3: Model for aromatic amines and phenols (fish) (Training set)

Links to External Resources