3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate

Formula:C24H16N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate is a drug-like molecule.

MolName3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate
MolecularFormulaC24H16N2O5Cl
Smiles[O-]C(c1cccc(COc2ccc(/C=C(\C(N3c4cccc(Cl)c4)=O)/NC3=O)cc2)c1)=O
InChIInChI=1S/C24H17ClN2O5/c25-18-5-2-6-19(13-18)27-22(28)21(26-24(27)31)12-15-7-9-20(10-8-15)32-14-16-3-1-4-17(11-16)23(29)30/h1-13H,14H2,(H,26,31)(H,29,30)/p-1
InChIKLDDSEAVJARILEX-UHFFFAOYSA-M
TotalMolweight447.853
Molweight447.853
MonoisotopicMass447.074775
CLogP1.9796
CLogS-6.309
H Acceptors7
H Donors1
TotalSurfaceArea325.71
Relative PSA0.24074
PolarSurfaceArea98.77
Druglikeness3.7662
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
Amides2
AcidicOxygens1
StereoCon

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