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

Formula:C20H9N3O3ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C20H9N3O3ClF3S
Smiles	O=C1n2nc(-c3ccco3)nc2S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C20H9ClF3N3O3S/c21-13-5-3-10(20(22,23)24)8-12(13)14-6-4-11(30-14)9-16-18(28)27-19(31-16)25-17(26-27)15-2-1-7-29-15/h1-9H
InChIK	ARXGIZBVHNEVCT-UHFFFAOYSA-N
TotalMolweight	463.822
Molweight	463.822
MonoisotopicMass	463.000523
CLogP	4.9743
CLogS	-7.874
H Acceptors	6
TotalSurfaceArea	309.97
Relative PSA	0.28248
PolarSurfaceArea	99.36
Druglikeness	-2.2137
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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

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