Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	59
	Name:	(R)-cyclopropyl(4-methoxyphenyl)(pyrimidin-5-yl)methanol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Ancymidol
	Labels:
	CAS:	12771-68-5
	InChi Code:	InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3/t15-/m1/s1

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
2.08	experimental value
2.926	Tab2.Model_2: logKoc (Training set)

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
3.41	experimental value
4.1737	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)