Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

Compound

	ID:	51
	Name:	Benzene, nitro-
	Description:
	Labels:
	CAS:	98-95-3
	InChi Code:	InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Properties

pLD50: Mouse oral toxicity as log(1/LD50) [M]

Value	Source or prediction
2.547	experimental value
2.389	QSAR: Model for acute toxicity (Training set)