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

Formula:C17H10NO2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H10NO2ClS3
Smiles	C#CCN(C(/C(/S1)=C\c2ccc(Sc(cc3)ccc3Cl)s2)=O)C1=O
InChI	InChI=1S/C17H10ClNO2S3/c1-2-9-19-16(20)14(24-17(19)21)10-13-7-8-15(23-13)22-12-5-3-11(18)4-6-12/h1,3-8,10H,9H2
InChIK	KUBIHDCUOGOOKX-UHFFFAOYSA-N
TotalMolweight	391.922
Molweight	391.922
MonoisotopicMass	390.956216
CLogP	4.2679
CLogS	-5.96
H Acceptors	3
TotalSurfaceArea	273.94
Relative PSA	0.31018
PolarSurfaceArea	116.22
Druglikeness	4.5293
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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