(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Formula:C17H10NO3BrClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H10NO3BrClFS
Smiles	Oc(ccc(/C=C(\C(N1Cc(c(F)ccc2)c2Cl)=O)/SC1=O)c1)c1Br
InChI	InChI=1S/C17H10BrClFNO3S/c18-11-6-9(4-5-14(11)22)7-15-16(23)21(17(24)25-15)8-10-12(19)2-1-3-13(10)20/h1-7,22H,8H2
InChIK	XBIKLNPSQRYPCL-UHFFFAOYSA-N
TotalMolweight	442.691
Molweight	442.691
MonoisotopicMass	440.92373
CLogP	4.2467
CLogS	-5.698
H Acceptors	4
H Donors	1
TotalSurfaceArea	268.03
Relative PSA	0.22468
PolarSurfaceArea	82.91
Druglikeness	1.3113
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
StereoCon

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1 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

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