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:12
Name:3-Phenylpropyl isothiocyanate
Description:
Labels:
CAS:2627-27-2
InChi Code:

Properties

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

ValueSource or prediction
0.0029

experimental value

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

ValueSource or prediction
2.54

experimental value

1.72

1: Substituted benzenes toxicity (Training)

2.56

2: GSH reactivity (Training)

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