N-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide

Formula:C17H11N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
MolecularFormula	C17H11N3O6S
Smiles	[O-][N+](c(cc1)ccc1C(NN(C(/C(/S1)=C/c2cc(O)ccc2)=O)C1=O)=O)=O
InChI	InChI=1S/C17H11N3O6S/c21-13-3-1-2-10(8-13)9-14-16(23)19(17(24)27-14)18-15(22)11-4-6-12(7-5-11)20(25)26/h1-9,21H,(H,18,22)
InChIK	ISXAQIWXRAJCND-UHFFFAOYSA-N
TotalMolweight	385.355
Molweight	385.355
MonoisotopicMass	385.036857
CLogP	0.5491
CLogS	-4.497
H Acceptors	9
H Donors	2
TotalSurfaceArea	266.75
Relative PSA	0.43164
PolarSurfaceArea	157.83
Druglikeness	-0.79358
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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