Base information
| Cat. No. | |
| CAS No. | 2538-85-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H13N2NaO5S |
| Molecular Weight | 416.382 |
| Exact Mass | 416.044 |
| XLogP3 | 5.8045 |
| Mr | 104.125 |
| PSA | 130.76 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(c2c(c1/N=N/c1c(O)ccc3c1cccc3)cccc2)S(=O)(=O)[O-].[Na+] |
