Base information
| Cat. No. | |
| CAS No. | 1242471-40-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N2O5S |
| Molecular Weight | 312.342 |
| Exact Mass | 312.078 |
| XLogP3 | 1.2455 |
| Mr | 84.4516 |
| PSA | 115.65 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCC(S(=O)(=O)O)(C1C(=NN(C1=O)c1ccccc1)C)C |
