Base information
| Cat. No. | |
| CAS No. | 2227107-89-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18N4O4 |
| Molecular Weight | 330.339 |
| Exact Mass | 330.133 |
| XLogP3 | 1.0789 |
| Mr | 89.1165 |
| PSA | 100.04 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)nc([nH]2)n1cc(C)c(=O)c(c1C(=O)[O-])C.[NH4+] |
