(E)-3-pyridin-3-ylprop-2-enamide
Formula:C8H8N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-pyridin-3-ylprop-2-enamide |
| MolecularFormula | C8H8N2O |
| Smiles | NC(/C=C/c1cnccc1)=O |
| InChI | InChI=1S/C8H8N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h1-6H,(H2,9,11) |
| InChIK | SAUZERSNFCTTSP-UHFFFAOYSA-N |
| TotalMolweight | 148.165 |
| Molweight | 148.165 |
| MonoisotopicMass | 148.063663 |
| CLogP | 0.0752 |
| CLogS | -1.28 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 124.79 |
| Relative PSA | 0.31477 |
| PolarSurfaceArea | 55.98 |
| Druglikeness | -1.1749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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