Base information
| Cat. No. | |
| CAS No. | 1227380-90-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H15N3O4 |
| Molecular Weight | 313.308 |
| Exact Mass | 313.106 |
| XLogP3 | 2.0374 |
| Mr | 85.074 |
| PSA | 97.21 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)[nH]c(n2)n1cc(C)c(=O)c(c1C(=O)O)C |
