Base information
| Cat. No. | |
| CAS No. | 100929-45-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H12N7NaO2 |
| Molecular Weight | 333.281 |
| Exact Mass | 333.095 |
| XLogP3 | 0.7952 |
| Mr | 82.7465 |
| PSA | 155.76 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Nc1nc(N)c2c(n1)ncc(n2)CNc1ccc(cc1)C(=O)[O-].[Na+] |
