(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C17H9N3OClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H9N3OClFS2
Smiles	O=C1n2nc(/C=C/c3cccs3)nc2S/C1=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C17H9ClFN3OS2/c18-12-4-1-5-13(19)11(12)9-14-16(23)22-17(25-14)20-15(21-22)7-6-10-3-2-8-24-10/h1-9H
InChIK	KFHNSGCQVFBZBT-UHFFFAOYSA-N
TotalMolweight	389.861
Molweight	389.861
MonoisotopicMass	388.985957
CLogP	4.3823
CLogS	-5.885
H Acceptors	4
TotalSurfaceArea	270.16
Relative PSA	0.29501
PolarSurfaceArea	101.32
Druglikeness	3.6314
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	3
StereoCon

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1 - (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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