(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C19H11N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C19H11N3OCl2S
Smiles	O=C1n2nc(/C=C/c3ccccc3)nc2S/C1=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C19H11Cl2N3OS/c20-14-7-4-8-15(21)13(14)11-16-18(25)24-19(26-16)22-17(23-24)10-9-12-5-2-1-3-6-12/h1-11H
InChIK	BAJHBSUQGNKSHB-UHFFFAOYSA-N
TotalMolweight	400.288
Molweight	400.288
MonoisotopicMass	398.999986
CLogP	5.0209
CLogS	-6.297
H Acceptors	4
TotalSurfaceArea	283.29
Relative PSA	0.20947
PolarSurfaceArea	73.08
Druglikeness	4.471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	5
Aromatic Nitrogens	3
StereoCon

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

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