Base information
| Cat. No. | |
| CAS No. | 53313-85-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H14NNaO3S |
| Molecular Weight | 335.353 |
| Exact Mass | 335.059 |
| XLogP3 | 4.9497 |
| Mr | 86.4651 |
| PSA | 77.61 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+] |
