(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C19H10N3O2ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C19H10N3O2ClS2
Smiles	O=C1n2nc(-c3cccs3)nc2S/C1=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C19H10ClN3O2S2/c20-12-5-3-11(4-6-12)14-8-7-13(25-14)10-16-18(24)23-19(27-16)21-17(22-23)15-2-1-9-26-15/h1-10H
InChIK	VFPUQPGTIXRVJH-UHFFFAOYSA-N
TotalMolweight	411.892
Molweight	411.892
MonoisotopicMass	410.990294
CLogP	4.9238
CLogS	-7.667
H Acceptors	5
TotalSurfaceArea	286.76
Relative PSA	0.32714
PolarSurfaceArea	114.46
Druglikeness	5.7082
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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