(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C21H14NO4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H14NO4ClS
Smiles	C#CCOc1ccc(/C=C(/C(N2CC(c(cc3)ccc3Cl)=O)=O)\SC2=O)cc1
InChI	InChI=1S/C21H14ClNO4S/c1-2-11-27-17-9-3-14(4-10-17)12-19-20(25)23(21(26)28-19)13-18(24)15-5-7-16(22)8-6-15/h1,3-10,12H,11,13H2
InChIK	CCBJYECLMNPCDQ-UHFFFAOYSA-N
TotalMolweight	411.864
Molweight	411.864
MonoisotopicMass	411.033206
CLogP	3.2654
CLogS	-5.781
H Acceptors	5
TotalSurfaceArea	302.02
Relative PSA	0.2323
PolarSurfaceArea	88.98
Druglikeness	4.9047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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1 - (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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