Base information
| Cat. No. | |
| CAS No. | 117131-01-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H30ClN3O6 |
| Molecular Weight | 527.997 |
| Exact Mass | 527.182 |
| XLogP3 | 5.4122 |
| Mr | 149.902 |
| PSA | 113.69 |
| Sequence | - |
| Atom number | 67 |
| Bond number | 69 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C.Cl |
