Base information
| Cat. No. | |
| CAS No. | 28416-66-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H32N2O7 |
| Molecular Weight | 436.499 |
| Exact Mass | 436.221 |
| XLogP3 | -0.55612 |
| Mr | 113.986 |
| PSA | 163.19 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 62 |
| Ring number | 1 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CC(C(c1ccccc1)(C#N)CC([NH+](C)C)C)C.[O-]C(=O)CC(C(=O)O)(CC(=O)O)O |
