(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C20H13NO3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C20H13NO3Cl2S
Smiles	C#CCN(C(/C(/S1)=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)=O)C1=O
InChI	InChI=1S/C20H13Cl2NO3S/c1-2-9-23-19(24)18(27-20(23)25)10-13-5-3-4-6-17(13)26-12-14-7-8-15(21)11-16(14)22/h1,3-8,10-11H,9,12H2
InChIK	YBMFNDXZLSXMPT-UHFFFAOYSA-N
TotalMolweight	418.299
Molweight	418.299
MonoisotopicMass	416.999318
CLogP	4.3296
CLogS	-6.224
H Acceptors	4
TotalSurfaceArea	299.69
Relative PSA	0.1906
PolarSurfaceArea	71.91
Druglikeness	4.2361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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