2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Formula:C19H14N2O8S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C19H14N2O8S2
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C(N2C(CCC(O)=O)C(O)=O)=O)\SC2=S)o1)=O
InChI	InChI=1S/C19H14N2O8S2/c22-16(23)8-6-13(18(25)26)20-17(24)15(31-19(20)30)9-12-5-7-14(29-12)10-1-3-11(4-2-10)21(27)28/h1-5,7,9,13H,6,8H2,(H,22,23)(H,25,26)/t13-/m0/s1
InChIK	AAYFBVCMIGADEC-ZDUSSCGKSA-N
TotalMolweight	462.458
Molweight	462.458
MonoisotopicMass	462.019158
CLogP	0.5362
CLogS	-5.226
H Acceptors	10
H Donors	2
TotalSurfaceArea	324.06
Relative PSA	0.49031
PolarSurfaceArea	211.26
Druglikeness	-3.5292
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	3
StereoCon	racemate

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1 - 2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | 2 - 2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

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