Roberts, D. W.; Aptula, A. O.; Patlewicz, G. Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization. Chem. Res. Toxicol. 2006, 19, 9, 1228–1233.

Compound

	ID:	Table7-1
	Name:	Atranol
	Description:
	Labels:	Predicting
	CAS:	526-37-4
	InChi Code:	InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3

Properties

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

Value	Source or prediction
2.40	experimental value
1.861	Eq3: Model for all Schiff base formers, up to logP = 4 (Assessed compounds: outliers)

Links to External Resources

Link	Resource description
DTXSID10200574	US EPA CompTox Dashboard