(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Formula:C17H11N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H11N3O7S
Smiles	[O-][N+](c1ccc(CN(C(/C(/S2)=C\c(cc3)cc([N+]([O-])=O)c3O)=O)C2=O)cc1)=O
InChI	InChI=1S/C17H11N3O7S/c21-14-6-3-11(7-13(14)20(26)27)8-15-16(22)18(17(23)28-15)9-10-1-4-12(5-2-10)19(24)25/h1-8,21H,9H2
InChIK	JHPYOKPTYDOYLW-UHFFFAOYSA-N
TotalMolweight	401.354
Molweight	401.354
MonoisotopicMass	401.031772
CLogP	0.9715
CLogS	-4.734
H Acceptors	10
H Donors	1
TotalSurfaceArea	274.97
Relative PSA	0.44027
PolarSurfaceArea	174.55
Druglikeness	-0.68668
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
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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