N-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Formula:C17H11N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.

MolName	N-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
MolecularFormula	C17H11N3O5S2
Smiles	[O-][N+](c(cc(/C=C(\C(N1NC(c2ccccc2)=O)=O)/SC1=S)cc1)c1O)=O
InChI	InChI=1S/C17H11N3O5S2/c21-13-7-6-10(8-12(13)20(24)25)9-14-16(23)19(17(26)27-14)18-15(22)11-4-2-1-3-5-11/h1-9,21H,(H,18,22)
InChIK	ALNQVOKLTQHKBV-UHFFFAOYSA-N
TotalMolweight	401.422
Molweight	401.422
MonoisotopicMass	401.014012
CLogP	0.2039
CLogS	-4.848
H Acceptors	8
H Donors	2
TotalSurfaceArea	281.71
Relative PSA	0.46182
PolarSurfaceArea	172.85
Druglikeness	-1.104
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
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	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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