(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C14H10N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C14H10N2OClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1ncccc1 |
| InChI | InChI=1S/C14H10ClFN2O/c15-11-4-3-5-12(16)10(11)7-8-14(19)18-13-6-1-2-9-17-13/h1-9H,(H,17,18,19) |
| InChIK | VWRMRNGWCJJEOS-UHFFFAOYSA-N |
| TotalMolweight | 276.697 |
| Molweight | 276.697 |
| MonoisotopicMass | 276.046568 |
| CLogP | 3.1936 |
| CLogS | -4.278 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.26 |
| Relative PSA | 0.1695 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -1.7029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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