Base information
| Cat. No. | |
| CAS No. | 25594-62-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.183 |
| Exact Mass | 172.064 |
| XLogP3 | 1.8324 |
| Mr | 49.7325 |
| PSA | 42.85 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cnc2c(n1)cccc2 |
