(E)-N-(5-bromopyridin-2-yl)-3-naphthalen-1-ylprop-2-enamide
Formula:C18H13N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(5-bromopyridin-2-yl)-3-naphthalen-1-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-bromopyridin-2-yl)-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C18H13N2OBr |
| Smiles | O=C(/C=C/c1cccc2ccccc12)Nc(cc1)ncc1Br |
| InChI | InChI=1S/C18H13BrN2O/c19-15-9-10-17(20-12-15)21-18(22)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H,20,21,22) |
| InChIK | ZRYSDICWBKMNDX-UHFFFAOYSA-N |
| TotalMolweight | 353.218 |
| Molweight | 353.218 |
| MonoisotopicMass | 352.021124 |
| CLogP | 4.4064 |
| CLogS | -5.668 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 240.72 |
| Relative PSA | 0.14735 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -2.2289 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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