Base information
| Cat. No. | |
| CAS No. | 10181-46-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H12NNaO7S |
| Molecular Weight | 397.334 |
| Exact Mass | 397.023 |
| XLogP3 | 3.0807 |
| Mr | 93.7431 |
| PSA | 164.23 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 4 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1c2ccccc2C(=O)c2c1c(O)c(O)c1c2cccn1.OS(=O)O.[NaH] |
