Enoch, S. J.; Roberts, D. W. Predicting Skin Sensitization Potency for Michael Acceptors in the LLNA Using Quantum Mechanics Calculations. Chem. Res. Toxicol. 2013, 26, 5, 767-774.

Compound

	ID:	30
	Name:	Crotonyl thioglycerol
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H12O3S/c1-2-3-7(10)11-5-6(9)4-8/h2-3,6,8-9H,4-5H2,1H3/b3-2+

Properties

pEC3: Skin sensitisation potency in the local lymph node assay (LLNA) as log(1/EC3) [log(L/mol)]

Value	Source or prediction
NS	experimental value