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

Formula:C17H9N3OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H9N3OBrFS
Smiles	O=C1n2nc(-c(cc3)ccc3Br)nc2S/C1=C\c(cc1)ccc1F
InChI	InChI=1S/C17H9BrFN3OS/c18-12-5-3-11(4-6-12)15-20-17-22(21-15)16(23)14(24-17)9-10-1-7-13(19)8-2-10/h1-9H
InChIK	ZAGZSAPVVSRYMZ-UHFFFAOYSA-N
TotalMolweight	402.246
Molweight	402.246
MonoisotopicMass	400.963371
CLogP	4.1814
CLogS	-6.698
H Acceptors	4
TotalSurfaceArea	250.93
Relative PSA	0.23648
PolarSurfaceArea	73.08
Druglikeness	1.2859
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
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 - (5Z)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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