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

Formula:C22H11N3O2ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:low (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]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-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C22H11N3O2ClF3S
Smiles	O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C22H11ClF3N3O2S/c23-16-8-6-13(22(24,25)26)10-15(16)17-9-7-14(31-17)11-18-20(30)29-21(32-18)27-19(28-29)12-4-2-1-3-5-12/h1-11H
InChIK	WIWKHAMRIOFGFX-UHFFFAOYSA-N
TotalMolweight	473.861
Molweight	473.861
MonoisotopicMass	473.021258
CLogP	5.7486
CLogS	-8.524
H Acceptors	5
TotalSurfaceArea	320.28
Relative PSA	0.22933
PolarSurfaceArea	86.22
Druglikeness	-1.901
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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