2-[[(5Z)-5-[[2-(carboxymethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

Formula:C19H14N2O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[(5Z)-5-[[2-(carboxymethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(5Z)-5-[[2-(carboxymethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid
MolecularFormula	C19H14N2O6S2
Smiles	OC(COc1c(/C=C(/C(N2Nc(cccc3)c3C(O)=O)=O)\SC2=S)cccc1)=O
InChI	InChI=1S/C19H14N2O6S2/c22-16(23)10-27-14-8-4-1-5-11(14)9-15-17(24)21(19(28)29-15)20-13-7-3-2-6-12(13)18(25)26/h1-9,20H,10H2,(H,22,23)(H,25,26)
InChIK	HGOFJFITGDNRSC-UHFFFAOYSA-N
TotalMolweight	430.46
Molweight	430.46
MonoisotopicMass	430.029328
CLogP	1.6556
CLogS	-3.918
H Acceptors	8
H Donors	3
TotalSurfaceArea	305.9
Relative PSA	0.444
PolarSurfaceArea	173.56
Druglikeness	3.5596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	2
StereoCon

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1 - 2-[[(5Z)-5-[[2-(carboxymethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid | 2 - 2-[[(5Z)-5-[[2-(carboxymethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

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