(E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C15H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H14N2O |
| Smiles | O=C(/C=C/c1ccccc1)NCc1cnccc1 |
| InChI | InChI=1S/C15H14N2O/c18-15(9-8-13-5-2-1-3-6-13)17-12-14-7-4-10-16-11-14/h1-11H,12H2,(H,17,18) |
| InChIK | VERQGAHAHUJWJK-UHFFFAOYSA-N |
| TotalMolweight | 238.289 |
| Molweight | 238.289 |
| MonoisotopicMass | 238.110613 |
| CLogP | 1.8448 |
| CLogS | -2.519 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 201.25 |
| Relative PSA | 0.17625 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.091837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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