3-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C13H11NO4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C13H11NO4S2
Smiles	OC(CCN(C(/C(/S1)=C/c(cccc2)c2O)=O)C1=S)=O
InChI	InChI=1S/C13H11NO4S2/c15-9-4-2-1-3-8(9)7-10-12(18)14(13(19)20-10)6-5-11(16)17/h1-4,7,15H,5-6H2,(H,16,17)
InChIK	HCAYBQDLEZXPGK-UHFFFAOYSA-N
TotalMolweight	309.365
Molweight	309.365
MonoisotopicMass	309.012949
CLogP	0.6358
CLogS	-2.887
H Acceptors	5
H Donors	2
TotalSurfaceArea	220.69
Relative PSA	0.45911
PolarSurfaceArea	135.23
Druglikeness	4.1136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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