Base information
| Cat. No. | |
| CAS No. | 6871-44-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H29N2O4+ |
| Molecular Weight | 385.477 |
| Exact Mass | 385.213 |
| XLogP3 | 1.4857 |
| Mr | 113.154 |
| PSA | 78.79 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 61 |
| Ring number | 5 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@@]1(CO)[C@H]2C[C@@H]([C@]34[C@@]1(CC[N+]4(C/C/2=C/C)C)c1ccccc1N3)O |
