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:	35
	Name:	Benzene, 1-methyl-2-nitro-
	Description:
	Labels:
	CAS:	88-72-2
	InChi Code:	InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Properties

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

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