(E)-3-(4-fluorophenyl)-N-pyridin-3-ylprop-2-enamide
Formula:C14H11N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-pyridin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-pyridin-3-ylprop-2-enamide |
| MolecularFormula | C14H11N2OF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1cnccc1 |
| InChI | InChI=1S/C14H11FN2O/c15-12-6-3-11(4-7-12)5-8-14(18)17-13-2-1-9-16-10-13/h1-10H,(H,17,18) |
| InChIK | UTSMVXSXKGPKGV-UHFFFAOYSA-N |
| TotalMolweight | 242.252 |
| Molweight | 242.252 |
| MonoisotopicMass | 242.085541 |
| CLogP | 2.2362 |
| CLogS | -3.017 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.84 |
| Relative PSA | 0.18299 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -1.7789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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