2-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Formula:C13H9NO5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MolecularFormula	C13H9NO5S2
Smiles	OC(CN(C(/C(/S1)=C/c(cccc2)c2C(O)=O)=O)C1=S)=O
InChI	InChI=1S/C13H9NO5S2/c15-10(16)6-14-11(17)9(21-13(14)20)5-7-3-1-2-4-8(7)12(18)19/h1-5H,6H2,(H,15,16)(H,18,19)
InChIK	SCLUBSIOAGDLQL-UHFFFAOYSA-N
TotalMolweight	323.348
Molweight	323.348
MonoisotopicMass	322.992214
CLogP	0.0122
CLogS	-2.926
H Acceptors	6
H Donors	2
TotalSurfaceArea	224.68
Relative PSA	0.50899
PolarSurfaceArea	152.3
Druglikeness	-1.7362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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