(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

Formula:C17H12N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC17H12N2O3BrCl
SmilesO=C(/C(/N1)=C\c(cc2)cc(Br)c2OCc(cc2)ccc2Cl)NC1=O
InChIInChI=1S/C17H12BrClN2O3/c18-13-7-11(8-14-16(22)21-17(23)20-14)3-6-15(13)24-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H2,20,21,22,23)
InChIKTYDQYRUAHAVNGH-UHFFFAOYSA-N
TotalMolweight407.65
Molweight407.65
MonoisotopicMass405.971981
CLogP3.5476
CLogS-5.647
H Acceptors5
H Donors2
TotalSurfaceArea260.46
Relative PSA0.22652
PolarSurfaceArea67.43
Druglikeness1.2221
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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