Base information
| Cat. No. | |
| CAS No. | 213594-60-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H13N3Na2O6 |
| Molecular Weight | 401.281 |
| Exact Mass | 401.06 |
| XLogP3 | -1.3966 |
| Mr | 87.6819 |
| PSA | 150.82 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CCNC(=O)c1ccc(cc1)N/N=C/1\C=CC(=O)C(=C1)C(=O)[O-].[Na+].[Na+] |
