(5E)-5-benzylidene-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C17H10N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5E)-5-benzylidene-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-5-benzylidene-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H10N3OClS
Smiles	O=C1n2nc(-c(cc3)ccc3Cl)nc2S/C1=C/c1ccccc1
InChI	InChI=1S/C17H10ClN3OS/c18-13-8-6-12(7-9-13)15-19-17-21(20-15)16(22)14(23-17)10-11-4-2-1-3-5-11/h1-10H
InChIK	CISPSPLXHDRSDS-UHFFFAOYSA-N
TotalMolweight	339.805
Molweight	339.805
MonoisotopicMass	339.023309
CLogP	3.9614
CLogS	-6.286
H Acceptors	4
TotalSurfaceArea	241.37
Relative PSA	0.24585
PolarSurfaceArea	73.08
Druglikeness	4.4557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (5E)-5-benzylidene-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-5-benzylidene-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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