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

Formula:C17H10N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5E)-5-benzylidene-2-(2-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-5-benzylidene-2-(2-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H10N3OBrS
Smiles	O=C1n2nc(-c(cccc3)c3Br)nc2S/C1=C/c1ccccc1
InChI	InChI=1S/C17H10BrN3OS/c18-13-9-5-4-8-12(13)15-19-17-21(20-15)16(22)14(23-17)10-11-6-2-1-3-7-11/h1-10H
InChIK	IYHZFSXUTVVTOA-UHFFFAOYSA-N
TotalMolweight	384.256
Molweight	384.256
MonoisotopicMass	382.972793
CLogP	4.0806
CLogS	-6.384
H Acceptors	4
TotalSurfaceArea	244.58
Relative PSA	0.24262
PolarSurfaceArea	73.08
Druglikeness	2.6259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6087
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	2
Aromatic Nitrogens	3
StereoCon

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

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