Base information
| Cat. No. | |
| CAS No. | 320608-52-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.192 |
| Exact Mass | 165.09 |
| XLogP3 | 1.0953 |
| Mr | 44.5261 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | NNC(=O)CCc1cccnc1 |
