3-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid

Formula:C13H10NO4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C13H10NO4FS
Smiles	OC(CCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=O)=O
InChI	InChI=1S/C13H10FNO4S/c14-9-3-1-8(2-4-9)7-10-12(18)15(13(19)20-10)6-5-11(16)17/h1-4,7H,5-6H2,(H,16,17)
InChIK	QOCVADBKSOLILB-UHFFFAOYSA-N
TotalMolweight	295.289
Molweight	295.289
MonoisotopicMass	295.031457
CLogP	1.4275
CLogS	-3.146
H Acceptors	5
H Donors	1
TotalSurfaceArea	205.73
Relative PSA	0.3561
PolarSurfaceArea	99.98
Druglikeness	3.108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.65
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	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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