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

Formula:C21H12NO5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[5-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12NO5ClS
Smiles	OC(c(cc(cc1)-c2ccc(/C=C(\C(N3c4ccccc4)=O)/SC3=O)o2)c1Cl)=O
InChI	InChI=1S/C21H12ClNO5S/c22-16-8-6-12(10-15(16)20(25)26)17-9-7-14(28-17)11-18-19(24)23(21(27)29-18)13-4-2-1-3-5-13/h1-11H,(H,25,26)
InChIK	CFHRJXVJLAROLH-UHFFFAOYSA-N
TotalMolweight	425.847
Molweight	425.847
MonoisotopicMass	425.012471
CLogP	4.2675
CLogS	-6.841
H Acceptors	6
H Donors	1
TotalSurfaceArea	296.49
Relative PSA	0.29468
PolarSurfaceArea	113.12
Druglikeness	4.1333
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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