(5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
Formula:C9H7N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione |
| MolecularFormula | C9H7N3O2 |
| Smiles | O=C(/C(/N1)=C/c2ccncc2)NC1=O |
| InChI | InChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)5-6-1-3-10-4-2-6/h1-5H,(H2,11,12,13,14) |
| InChIK | JFEGQPTZCCZRSJ-UHFFFAOYSA-N |
| TotalMolweight | 189.174 |
| Molweight | 189.174 |
| MonoisotopicMass | 189.053827 |
| CLogP | -0.1326 |
| CLogS | -1.941 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 141.65 |
| Relative PSA | 0.42337 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 3.1285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione | 2 - (5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
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