(5Z)-5-[(3-bromophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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

MolName	(5Z)-5-[(3-bromophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H10N3OBrS
Smiles	O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1cccc(Br)c1
InChI	InChI=1S/C17H10BrN3OS/c18-13-8-4-5-11(9-13)10-14-16(22)21-17(23-14)19-15(20-21)12-6-2-1-3-7-12/h1-10H
InChIK	KBVQOYFOVBRGFD-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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