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:	70
	Name:	piperine
	Description:
	Labels:	training
	CAS:	94-62-2
	InChi Code:	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

Properties

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

Value	Source or prediction
0.97	experimental value
0.271	Eq5: MLR with logKow - non-polar narcosis (Training set)
0.339	Eq6: MLR with logKow and LUMO (Training set)
0.816	Eq7: MLR with logKow, LUMO and ∆1χv (Training set)
0.990	Eq8: MLR with logKow, LUMO and ∆1χv (Training set)
0.5314	Fig5: Non-linear kNN model, k = 7 (Training set)
0.7047	Fig7: Non-linear kNN consensus model, k = 5, 6, 7 (Training set)

Links to External Resources

Link	Resource description
DTXSID3021805	US EPA CompTox Dashboard