(5E)-5-benzylidene-3-(3-chlorophenyl)imidazolidine-2,4-dione
Formula:C16H11N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-(3-chlorophenyl)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-(3-chlorophenyl)imidazolidine-2,4-dione |
| MolecularFormula | C16H11N2O2Cl |
| Smiles | O=C(/C(/NC1=O)=C\c2ccccc2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H11ClN2O2/c17-12-7-4-8-13(10-12)19-15(20)14(18-16(19)21)9-11-5-2-1-3-6-11/h1-10H,(H,18,21) |
| InChIK | HMKIUBSUGHIGAB-UHFFFAOYSA-N |
| TotalMolweight | 298.728 |
| Molweight | 298.728 |
| MonoisotopicMass | 298.050905 |
| CLogP | 3.2224 |
| CLogS | -4.955 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.91 |
| Relative PSA | 0.18943 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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