(E)-2-cyano-3-pyridin-2-ylprop-2-enamide
Formula:C9H7N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C9H7N3O |
| Smiles | NC(/C(/C#N)=C/c1ncccc1)=O |
| InChI | InChI=1S/C9H7N3O/c10-6-7(9(11)13)5-8-3-1-2-4-12-8/h1-5H,(H2,11,13) |
| InChIK | WPJNFUOJIMCLKK-UHFFFAOYSA-N |
| TotalMolweight | 173.175 |
| Molweight | 173.175 |
| MonoisotopicMass | 173.058912 |
| CLogP | -0.0188 |
| CLogS | -1.576 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 144.71 |
| Relative PSA | 0.36514 |
| PolarSurfaceArea | 79.77 |
| Druglikeness | -3.1866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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