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

Formula:C23H15NO7S Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(E)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid is a drug-like molecule.

MolName	5-[5-[(E)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
MolecularFormula	C23H15NO7S
Smiles	OC(c1cc(-c2ccc(/C=C(\C(N3Cc4ccccc4)=O)/SC3=O)o2)cc(C(O)=O)c1)=O
InChI	InChI=1S/C23H15NO7S/c25-20-19(32-23(30)24(20)12-13-4-2-1-3-5-13)11-17-6-7-18(31-17)14-8-15(21(26)27)10-16(9-14)22(28)29/h1-11H,12H2,(H,26,27)(H,28,29)
InChIK	LZMAYYUNXXESFA-UHFFFAOYSA-N
TotalMolweight	449.438
Molweight	449.438
MonoisotopicMass	449.056924
CLogP	3.0695
CLogS	-5.596
H Acceptors	8
H Donors	2
TotalSurfaceArea	318.93
Relative PSA	0.35591
PolarSurfaceArea	150.42
Druglikeness	5.1381
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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1 - 5-[5-[(E)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid | 2 - 5-[5-[(E)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

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