(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C16H9N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H9N3O6S2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c(cc2)cc([N+]([O-])=O)c2O)=O)C1=S)=O
InChI	InChI=1S/C16H9N3O6S2/c20-13-6-1-9(7-12(13)19(24)25)8-14-15(21)17(16(26)27-14)10-2-4-11(5-3-10)18(22)23/h1-8,20H
InChIK	DKGVKDUTYYCHPA-UHFFFAOYSA-N
TotalMolweight	403.394
Molweight	403.394
MonoisotopicMass	402.993277
CLogP	0.7034
CLogS	-5.607
H Acceptors	9
H Donors	1
TotalSurfaceArea	276.17
Relative PSA	0.49252
PolarSurfaceArea	189.57
Druglikeness	-2.261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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