| MolName | 3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C24H16N2O5Cl |
| Smiles | [O-]C(c1cccc(COc2ccc(/C=C(\C(N3c4cccc(Cl)c4)=O)/NC3=O)cc2)c1)=O |
| InChI | InChI=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 |
| InChIK | LDDSEAVJARILEX-UHFFFAOYSA-M |
| TotalMolweight | 447.853 |
| Molweight | 447.853 |
| MonoisotopicMass | 447.074775 |
| CLogP | 1.9796 |
| CLogS | -6.309 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.71 |
| Relative PSA | 0.24074 |
| PolarSurfaceArea | 98.77 |
| Druglikeness | 3.7662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate | 2 - 3-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate