(E)-3-phenyl-N-pyrimidin-2-ylprop-2-enamide
Formula:C13H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-pyrimidin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-pyrimidin-2-ylprop-2-enamide |
| MolecularFormula | C13H11N3O |
| Smiles | O=C(/C=C/c1ccccc1)Nc1ncccn1 |
| InChI | InChI=1S/C13H11N3O/c17-12(16-13-14-9-4-10-15-13)8-7-11-5-2-1-3-6-11/h1-10H,(H,14,15,16,17) |
| InChIK | CQXHRJBWOYRCJL-UHFFFAOYSA-N |
| TotalMolweight | 225.25 |
| Molweight | 225.25 |
| MonoisotopicMass | 225.090212 |
| CLogP | 1.9426 |
| CLogS | -2.765 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 186.25 |
| Relative PSA | 0.24934 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -0.43887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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