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

Formula:C18H11N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-3-(3,4-dihydroxyphenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one is a drug-like molecule.

MolName	(6Z)-3-(3,4-dihydroxyphenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one
MolecularFormula	C18H11N2O5S2
Smiles	[O-][N+](c1ccc(/C=C2\Sc(scc3-c(cc4)cc(O)c4O)[n+]3C2=O)cc1)=O
InChI	InChI=1S/C18H10N2O5S2/c21-14-6-3-11(8-15(14)22)13-9-26-18-19(13)17(23)16(27-18)7-10-1-4-12(5-2-10)20(24)25/h1-9H,(H-,21,22)/p+1
InChIK	LYYRIQMBKOTXAS-UHFFFAOYSA-O
TotalMolweight	399.426
Molweight	399.426
MonoisotopicMass	399.010938
CLogP	-0.9299
CLogS	-5.403
H Acceptors	7
H Donors	2
TotalSurfaceArea	268.84
Relative PSA	0.41017
PolarSurfaceArea	160.77
Druglikeness	-4.1068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium; aromatic nitro
Shape Index	0.59259
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	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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