(6E)-6-[(2,4-dichlorophenyl)methylidene]-3-(3-nitrophenyl)-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one

Formula:C18H9N2O3Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-[(2,4-dichlorophenyl)methylidene]-3-(3-nitrophenyl)-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one is a drug-like molecule.

MolName	(6E)-6-[(2,4-dichlorophenyl)methylidene]-3-(3-nitrophenyl)-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one
MolecularFormula	C18H9N2O3Cl2S2
Smiles	[O-][N+](c1cccc(-c2csc(S/C3=C/c(ccc(Cl)c4)c4Cl)[n+]2C3=O)c1)=O
InChI	InChI=1S/C18H9Cl2N2O3S2/c19-12-5-4-10(14(20)8-12)7-16-17(23)21-15(9-26-18(21)27-16)11-2-1-3-13(6-11)22(24)25/h1-9H/q+1
InChIK	WXOBMQBMVPTULF-UHFFFAOYSA-N
TotalMolweight	436.318
Molweight	436.318
MonoisotopicMass	434.943162
CLogP	0.9735
CLogS	-7.467
H Acceptors	5
TotalSurfaceArea	286.98
Relative PSA	0.29295
PolarSurfaceArea	120.31
Druglikeness	-4.0517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium; aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (6E)-6-[(2,4-dichlorophenyl)methylidene]-3-(3-nitrophenyl)-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one | 2 - (6E)-6-[(2,4-dichlorophenyl)methylidene]-3-(3-nitrophenyl)-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one

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