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

Formula:C21H11N3O2ClFS Mutagenic:high Tumorigenic:high Reproductive Effective:low (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C21H11N3O2ClFS
Smiles	O=C1n2nc(-c(cc3)ccc3F)nc2S/C1=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C21H11ClFN3O2S/c22-14-5-1-12(2-6-14)17-10-9-16(28-17)11-18-20(27)26-21(29-18)24-19(25-26)13-3-7-15(23)8-4-13/h1-11H
InChIK	IUUKAHTTWNSCSG-UHFFFAOYSA-N
TotalMolweight	423.854
Molweight	423.854
MonoisotopicMass	423.024452
CLogP	5.0011
CLogS	-8.06
H Acceptors	5
TotalSurfaceArea	297.17
Relative PSA	0.24716
PolarSurfaceArea	86.22
Druglikeness	3.949
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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