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 toxicity to Daphnia magna. Q13-31-0060. 2010.

Compound

	ID:	5
	Name:	benzylisothiocyanate
	Description:
	Labels:
	CAS:	622-78-6
	InChi Code:	InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

Properties

logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]

Value	Source or prediction
-6.54	experimental value
-4.79	QSAR: Model for Daphnia toxicity (Tarining set)