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

Formula:C13H7NO3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C13H7NO3BrClS
Smiles	C#CCN(C(/C(/S1)=C\c2cc(Cl)cc(Br)c2O)=O)C1=O
InChI	InChI=1S/C13H7BrClNO3S/c1-2-3-16-12(18)10(20-13(16)19)5-7-4-8(15)6-9(14)11(7)17/h1,4-6,17H,3H2
InChIK	LXXKMGFQJOTDEL-UHFFFAOYSA-N
TotalMolweight	372.626
Molweight	372.626
MonoisotopicMass	370.901852
CLogP	2.755
CLogS	-4.685
H Acceptors	4
H Donors	1
TotalSurfaceArea	225.73
Relative PSA	0.26678
PolarSurfaceArea	82.91
Druglikeness	2.6827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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