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

Formula:C20H14N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
MolecularFormula	C20H14N2O3BrCl
Smiles	C#CCOc(ccc(/C=C(\C(N1Cc(cc2)ccc2Cl)=O)/NC1=O)c1)c1Br
InChI	InChI=1S/C20H14BrClN2O3/c1-2-9-27-18-8-5-14(10-16(18)21)11-17-19(25)24(20(26)23-17)12-13-3-6-15(22)7-4-13/h1,3-8,10-11H,9,12H2,(H,23,26)
InChIK	KSODQUROUYWIHA-UHFFFAOYSA-N
TotalMolweight	445.699
Molweight	445.699
MonoisotopicMass	443.987631
CLogP	3.8277
CLogS	-5.909
H Acceptors	5
H Donors	1
TotalSurfaceArea	296.87
Relative PSA	0.1721
PolarSurfaceArea	58.64
Druglikeness	2.9655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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