4-[[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C18H12NO5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C18H12NO5ClS
Smiles	OC(c1ccc(COc(ccc(/C=C(/C(N2)=O)\SC2=O)c2)c2Cl)cc1)=O
InChI	InChI=1S/C18H12ClNO5S/c19-13-7-11(8-15-16(21)20-18(24)26-15)3-6-14(13)25-9-10-1-4-12(5-2-10)17(22)23/h1-8H,9H2,(H,22,23)(H,20,21,24)
InChIK	PPGWVCJAWPEZQZ-UHFFFAOYSA-N
TotalMolweight	389.814
Molweight	389.814
MonoisotopicMass	389.012471
CLogP	2.9286
CLogS	-5.239
H Acceptors	6
H Donors	2
TotalSurfaceArea	271.96
Relative PSA	0.33523
PolarSurfaceArea	118
Druglikeness	2.8298
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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