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:	148
	Name:	methyl 3-chloro-2-{5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamido}benzoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Cloransulam-methyl
	Labels:
	CAS:	147150-35-4
	InChi Code:	InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3

Properties

M18.MP: Melting point [°C]

Value	Source or prediction
217	experimental value
226.0899	Tab2.Model_18: (B)TAZ melting point (Training set)

M19.logSw: Water solubility as log(Sw) [log(mg/L)]

Value	Source or prediction
1.204	experimental value
1.2388	Tab2.Model_19: (B)TAZ solubility in water (Training set)

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.7	experimental value
4.0746	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)