(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione

Formula:C13H9N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
MolecularFormula	C13H9N2O3Br
Smiles	C#CCOc(ccc(/C=C(\C(N1)=O)/NC1=O)c1)c1Br
InChI	InChI=1S/C13H9BrN2O3/c1-2-5-19-11-4-3-8(6-9(11)14)7-10-12(17)16-13(18)15-10/h1,3-4,6-7H,5H2,(H2,15,16,17,18)
InChIK	FNTWHQRIFPSWBY-UHFFFAOYSA-N
TotalMolweight	321.129
Molweight	321.129
MonoisotopicMass	319.979654
CLogP	1.5507
CLogS	-4.212
H Acceptors	5
H Donors	2
TotalSurfaceArea	209.09
Relative PSA	0.28218
PolarSurfaceArea	67.43
Druglikeness	1.2118
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
StereoCon

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