Base information
| Cat. No. | |
| CAS No. | 21047-89-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N5O2 |
| Molecular Weight | 221.216 |
| Exact Mass | 221.091 |
| XLogP3 | 0.3137 |
| Mr | 58.4361 |
| PSA | 103.53 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2 |
