N-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide

Formula:C17H11N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide is a drug-like molecule.

MolName	N-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
MolecularFormula	C17H11N3O4S2
Smiles	[O-][N+](c1cccc(C(NN(C(/C(/S2)=C\c3ccccc3)=O)C2=S)=O)c1)=O
InChI	InChI=1S/C17H11N3O4S2/c21-15(12-7-4-8-13(10-12)20(23)24)18-19-16(22)14(26-17(19)25)9-11-5-2-1-3-6-11/h1-10H,(H,18,21)
InChIK	AGCLKJKMSANXLA-UHFFFAOYSA-N
TotalMolweight	385.423
Molweight	385.423
MonoisotopicMass	385.019097
CLogP	0.5496
CLogS	-5.144
H Acceptors	7
H Donors	1
TotalSurfaceArea	275.36
Relative PSA	0.4249
PolarSurfaceArea	152.62
Druglikeness	-1.118
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
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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