3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C15H9NO5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C15H9NO5S
Smiles	OC(c1cccc(-c2ccc(/C=C(\C(N3)=O)/SC3=O)o2)c1)=O
InChI	InChI=1S/C15H9NO5S/c17-13-12(22-15(20)16-13)7-10-4-5-11(21-10)8-2-1-3-9(6-8)14(18)19/h1-7H,(H,18,19)(H,16,17,20)
InChIK	QBZLYEDJIWHIEF-UHFFFAOYSA-N
TotalMolweight	315.304
Molweight	315.304
MonoisotopicMass	315.020144
CLogP	1.9134
CLogS	-4.622
H Acceptors	6
H Donors	2
TotalSurfaceArea	222.47
Relative PSA	0.42828
PolarSurfaceArea	121.91
Druglikeness	3.9094
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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