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

Formula:C13H11NO5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C13H11NO5S3
Smiles	OC(CCC(C(O)=O)N(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O
InChI	InChI=1S/C13H11NO5S3/c15-10(16)4-3-8(12(18)19)14-11(17)9(22-13(14)20)6-7-2-1-5-21-7/h1-2,5-6,8H,3-4H2,(H,15,16)(H,18,19)/t8-/m0/s1
InChIK	OXDIHLMKSUYKGI-QMMMGPOBSA-N
TotalMolweight	357.43
Molweight	357.43
MonoisotopicMass	356.979934
CLogP	0.3855
CLogS	-3.316
H Acceptors	6
H Donors	2
TotalSurfaceArea	246.88
Relative PSA	0.54569
PolarSurfaceArea	180.54
Druglikeness	0.94189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Amides	1
AcidicOxygens	2
StereoCon	racemate

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