2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanedioic acid

Formula:C12H9NO5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormula	C12H9NO5S3
Smiles	OC(CC(C(O)=O)N(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O
InChI	InChI=1S/C12H9NO5S3/c14-9(15)5-7(11(17)18)13-10(16)8(21-12(13)19)4-6-2-1-3-20-6/h1-4,7H,5H2,(H,14,15)(H,17,18)/t7-/m0/s1
InChIK	SHXVXJRIDDKZLK-ZETCQYMHSA-N
TotalMolweight	343.403
Molweight	343.403
MonoisotopicMass	342.964284
CLogP	-0.0689
CLogS	-3.046
H Acceptors	6
H Donors	2
TotalSurfaceArea	233.12
Relative PSA	0.5779
PolarSurfaceArea	180.54
Druglikeness	2.4219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	1
AcidicOxygens	2
StereoCon	racemate

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