(5Z)-3-benzyl-5-[(2-iodophenyl)methylidene]imidazolidine-2,4-dione
Formula:C17H13N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[(2-iodophenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[(2-iodophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H13N2O2I |
| Smiles | O=C(/C(/N1)=C/c(cccc2)c2I)N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C17H13IN2O2/c18-14-9-5-4-8-13(14)10-15-16(21)20(17(22)19-15)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,22) |
| InChIK | NNLQAMVDADPLHC-UHFFFAOYSA-N |
| TotalMolweight | 404.202 |
| Molweight | 404.202 |
| MonoisotopicMass | 404.002176 |
| CLogP | 2.9764 |
| CLogS | -4.713 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.53 |
| Relative PSA | 0.17012 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 5.2821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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