6-[(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C18H18N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.

MolName	6-[(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C18H18N2O5S2
Smiles	[O-][N+](c1c(/C=C/C=C(\C(N2CCCCCC(O)=O)=O)/SC2=S)cccc1)=O
InChI	InChI=1S/C18H18N2O5S2/c21-16(22)11-2-1-5-12-19-17(23)15(27-18(19)26)10-6-8-13-7-3-4-9-14(13)20(24)25/h3-4,6-10H,1-2,5,11-12H2,(H,21,22)
InChIK	DIJHYAQHYOQTLJ-UHFFFAOYSA-N
TotalMolweight	406.482
Molweight	406.482
MonoisotopicMass	406.065713
CLogP	2.0797
CLogS	-4.765
H Acceptors	7
H Donors	1
TotalSurfaceArea	305.79
Relative PSA	0.38798
PolarSurfaceArea	160.82
Druglikeness	-10.229
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Amides	1
AcidicOxygens	2
StereoCon

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