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

Formula:C20H14NO3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (5E)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C20H14NO3BrS
Smiles	C#CCN(C(/C(/S1)=C\c(cc(cc2)Br)c2OCc2ccccc2)=O)C1=O
InChI	InChI=1S/C20H14BrNO3S/c1-2-10-22-19(23)18(26-20(22)24)12-15-11-16(21)8-9-17(15)25-13-14-6-4-3-5-7-14/h1,3-9,11-12H,10,13H2
InChIK	OZCLWAMFWADOPP-UHFFFAOYSA-N
TotalMolweight	428.305
Molweight	428.305
MonoisotopicMass	426.987775
CLogP	3.8428
CLogS	-5.586
H Acceptors	4
TotalSurfaceArea	287.48
Relative PSA	0.19869
PolarSurfaceArea	71.91
Druglikeness	2.3934
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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