(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Formula:C16H9NO3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C16H9NO3BrClS
Smiles	Oc(c(Cl)cc(/C=C(\C(N1c2ccccc2)=O)/SC1=O)c1)c1Br
InChI	InChI=1S/C16H9BrClNO3S/c17-11-6-9(7-12(18)14(11)20)8-13-15(21)19(16(22)23-13)10-4-2-1-3-5-10/h1-8,20H
InChIK	HSERMQDTZAICPH-UHFFFAOYSA-N
TotalMolweight	410.674
Molweight	410.674
MonoisotopicMass	408.917502
CLogP	4.223
CLogS	-5.906
H Acceptors	4
H Donors	1
TotalSurfaceArea	247.92
Relative PSA	0.2429
PolarSurfaceArea	82.91
Druglikeness	1.4928
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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