2-[(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C12H8N2O6S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C12H8N2O6S2
Smiles	[O-][N+](c1ccc(/C=C/C=C(/C(N2CC(O)=O)=O)\SC2=S)o1)=O
InChI	InChI=1S/C12H8N2O6S2/c15-10(16)6-13-11(17)8(22-12(13)21)3-1-2-7-4-5-9(20-7)14(18)19/h1-5H,6H2,(H,15,16)
InChIK	JEUNPFQODSMQJV-UHFFFAOYSA-N
TotalMolweight	340.336
Molweight	340.336
MonoisotopicMass	339.982378
CLogP	-0.1978
CLogS	-3.892
H Acceptors	8
H Donors	1
TotalSurfaceArea	240.44
Relative PSA	0.55211
PolarSurfaceArea	173.96
Druglikeness	-4.9186
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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1 - 2-[(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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