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

Formula:C17H10N3O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide is a drug-like molecule.

MolName	N-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
MolecularFormula	C17H10N3O4ClS2
Smiles	[O-][N+](c1cccc(C(NN(C(/C(/S2)=C\c(cc3)ccc3Cl)=O)C2=S)=O)c1)=O
InChI	InChI=1S/C17H10ClN3O4S2/c18-12-6-4-10(5-7-12)8-14-16(23)20(17(26)27-14)19-15(22)11-2-1-3-13(9-11)21(24)25/h1-9H,(H,19,22)
InChIK	LFACTGPSVPMQGQ-UHFFFAOYSA-N
TotalMolweight	419.868
Molweight	419.868
MonoisotopicMass	418.980124
CLogP	1.1556
CLogS	-5.88
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.78
Relative PSA	0.40237
PolarSurfaceArea	152.62
Druglikeness	-1.0622
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
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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