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

Formula:C21H11N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:low (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C21H11N3O2Cl2S
Smiles	O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChI	InChI=1S/C21H11Cl2N3O2S/c22-14-7-4-8-15(23)18(14)16-10-9-13(28-16)11-17-20(27)26-21(29-17)24-19(25-26)12-5-2-1-3-6-12/h1-11H
InChIK	IYIJZUAYMUHHQB-UHFFFAOYSA-N
TotalMolweight	440.309
Molweight	440.309
MonoisotopicMass	438.994901
CLogP	5.5063
CLogS	-8.482
H Acceptors	5
TotalSurfaceArea	306.24
Relative PSA	0.23984
PolarSurfaceArea	86.22
Druglikeness	5.289
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58621
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	5
Aromatic Nitrogens	3
StereoCon

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

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