N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide

Formula:C17H11N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide is a drug-like molecule.

MolName	N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
MolecularFormula	C17H11N3O5S2
Smiles	[O-][N+](c1cccc(C(NN(C(/C(/S2)=C/C=C/c3ccco3)=O)C2=S)=O)c1)=O
InChI	InChI=1S/C17H11N3O5S2/c21-15(11-4-1-5-12(10-11)20(23)24)18-19-16(22)14(27-17(19)26)8-2-6-13-7-3-9-25-13/h1-10H,(H,18,21)
InChIK	WRCBZVLAZJQUBW-UHFFFAOYSA-N
TotalMolweight	401.422
Molweight	401.422
MonoisotopicMass	401.014012
CLogP	0.3949
CLogS	-5.138
H Acceptors	8
H Donors	1
TotalSurfaceArea	291.55
Relative PSA	0.4497
PolarSurfaceArea	165.76
Druglikeness	-1.1708
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	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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