| MolName | (E)-N-(6-chloro-2-phenyl-1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C22H17N3OCl |
| Smiles | O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)[nH]c(cc2)[n+]1cc2Cl |
| InChI | InChI=1S/C22H16ClN3O/c23-18-12-13-19-24-21(17-9-5-2-6-10-17)22(26(19)15-18)25-20(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,25,27)/p+1 |
| InChIK | HDAHLTKOXVYKJO-UHFFFAOYSA-O |
| TotalMolweight | 374.85 |
| Molweight | 374.85 |
| MonoisotopicMass | 374.106014 |
| CLogP | 4.2202 |
| CLogS | -7.818 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.21 |
| Relative PSA | 0.0746 |
| PolarSurfaceArea | 48.99 |
| Druglikeness | -0.22789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-N-(6-chloro-2-phenyl-1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(6-chloro-2-phenyl-1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-3-phenylprop-2-enamide