Base information
| Cat. No. | |
| CAS No. | 74431-23-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H19N3O5S |
| Molecular Weight | 317.361 |
| Exact Mass | 317.105 |
| XLogP3 | 0.1882 |
| Mr | 82.0718 |
| PSA | 148.25 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O |
