(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C11H6NO2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C11H6NO2ClS2
Smiles	C#CCN(C(/C(/S1)=C\c(s2)ccc2Cl)=O)C1=O
InChI	InChI=1S/C11H6ClNO2S2/c1-2-5-13-10(14)8(17-11(13)15)6-7-3-4-9(12)16-7/h1,3-4,6H,5H2
InChIK	IJKLSHQUDALOKZ-UHFFFAOYSA-N
TotalMolweight	283.759
Molweight	283.759
MonoisotopicMass	282.952846
CLogP	2.4468
CLogS	-4.174
H Acceptors	3
TotalSurfaceArea	196.69
Relative PSA	0.34308
PolarSurfaceArea	90.92
Druglikeness	4.5916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Amides	1
StereoCon

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