Cronin, M.T.D.; Netzeva, T.I.; Dearden, J.C.; Edwards, R.; Worgan, A.D.P. Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris :  Development of a Novel Database. Chem. Res. Toxicol. 2004, 17, 545–554.

Compound

	ID:	24
	Name:	2-hydroxyaniline
	Description:
	Labels:	training
	CAS:	95-55-6
	InChi Code:	InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

Properties

pEC50: 15-minute algal toxicity as log(1/EC50) [log(1/mM)] i

Value	Source or prediction
-0.91	experimental value
-1.871	Eq5: MLR with logKow - non-polar narcosis (Training set)
-1.888	Eq6: MLR with logKow and LUMO (Training set)
-1.865	Eq7: MLR with logKow, LUMO and ∆1χv (Training set)
-1.880	Eq8: MLR with logKow, LUMO and ∆1χv (Training set)
-1.7214	Fig5: Non-linear kNN model, k = 7 (Training set)
-1.8020	Fig7: Non-linear kNN consensus model, k = 5, 6, 7 (Training set)

Links to External Resources

Link	Resource description
DTXSID8024498	US EPA CompTox Dashboard