10967/52 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Yarbrough, J.W.; Woldemeskel, M. Toxicity to Tetrahymena and abiotic thiol reactivity of aromatic isothiocyanates. Cell Biol. Toxicol. 2005, 21, 3, 181–189.

Compound

ID:7
Name:1,4-Phenylene diisothiocyanate
Description:
Labels:
CAS:4044-65-9
InChi Code:

Properties

IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

ValueSource or prediction
0.00045

experimental value

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
3.34

experimental value

2.42

1: Substituted benzenes toxicity (Training)

2.72

2: GSH reactivity (Training)

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