Base information
| Cat. No. | |
| CAS No. | 32445-13-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12N3O+ |
| Molecular Weight | 226.254 |
| Exact Mass | 226.098 |
| XLogP3 | 3.99638 |
| Mr | 67.2217 |
| PSA | 49.41 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Nc1ccc(cc1)[N+]#N |
