Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.

Compound

	ID:	35
	Name:	1,4-dinitrobenzene
	Description:
	Labels:
	CAS:	100-25-4
	InChi Code:	InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

Properties

pEC50: Algal toxicity as log(1/EC50) [mM]

Value	Source or prediction
0.41	experimental value
0.478	QSAR: Model for algal toxicity (Training set)