Base information
| Cat. No. | |
| CAS No. | 163558-30-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H18NNaO7S2 |
| Molecular Weight | 447.458 |
| Exact Mass | 447.042 |
| XLogP3 | 4.0985 |
| Mr | 104.41 |
| PSA | 163.68 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H](C(=O)O)CSS(=O)(=O)O)OCC1c2ccccc2-c2c1cccc2.[NaH] |
