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

Formula:C18H10N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one is a drug-like molecule.

MolName	(6E)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one
MolecularFormula	C18H10N3O5S2
Smiles	[O-][N+](c1ccc(/C=C2/Sc(scc3-c4cc([N+]([O-])=O)ccc4)[n+]3C2=O)cc1)=O
InChI	InChI=1S/C18H10N3O5S2/c22-17-16(8-11-4-6-13(7-5-11)20(23)24)28-18-19(17)15(10-27-18)12-2-1-3-14(9-12)21(25)26/h1-10H/q+1
InChIK	KIBQVFDITSJBHJ-UHFFFAOYSA-N
TotalMolweight	412.425
Molweight	412.425
MonoisotopicMass	412.006187
CLogP	-1.1601
CLogS	-6.455
H Acceptors	8
TotalSurfaceArea	279.81
Relative PSA	0.40917
PolarSurfaceArea	166.13
Druglikeness	-4.135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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