Base information
| Cat. No. | |
| CAS No. | 1239648-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N4O |
| Molecular Weight | 164.165 |
| Exact Mass | 164.07 |
| XLogP3 | 0.9013 |
| Mr | 43.8834 |
| PSA | 65.44 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccn2c(c1)nc(n2)N |
