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

Formula:C15H13NO5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C15H13NO5S2
Smiles	OC(CCC(C(O)=O)N(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C15H13NO5S2/c17-12(18)7-6-10(14(20)21)16-13(19)11(23-15(16)22)8-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,17,18)(H,20,21)/t10-/m0/s1
InChIK	DTPSNZKCDHPUJR-JTQLQIEISA-N
TotalMolweight	351.402
Molweight	351.402
MonoisotopicMass	351.023514
CLogP	0.5189
CLogS	-3.306
H Acceptors	6
H Donors	2
TotalSurfaceArea	250.94
Relative PSA	0.45573
PolarSurfaceArea	152.3
Druglikeness	0.42218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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

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