(E)-N-cyclohexyl-3-(3-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C20H21N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclohexyl-3-(3-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclohexyl-3-(3-fluorophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C20H21N2OF |
| Smiles | O=C(/C=C/c1cccc(F)c1)N(C1CCCCC1)c1ncccc1 |
| InChI | InChI=1S/C20H21FN2O/c21-17-8-6-7-16(15-17)12-13-20(24)23(18-9-2-1-3-10-18)19-11-4-5-14-22-19/h4-8,11-15,18H,1-3,9-10H2 |
| InChIK | PDZAKXSJEOMVPA-UHFFFAOYSA-N |
| TotalMolweight | 324.398 |
| Molweight | 324.398 |
| MonoisotopicMass | 324.163791 |
| CLogP | 4.3927 |
| CLogS | -5.092 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.48 |
| Relative PSA | 0.1058 |
| PolarSurfaceArea | 33.2 |
| Druglikeness | -5.9055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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