Base information
| Cat. No. | |
| CAS No. | 100605-51-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7N5O |
| Molecular Weight | 165.153 |
| Exact Mass | 165.065 |
| XLogP3 | 0.5249 |
| Mr | 42.5801 |
| PSA | 89.71 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(N)c2c(n1)[nH]nc2 |
