Base information
| Cat. No. | |
| CAS No. | 122841-17-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18ClN5O4S |
| Molecular Weight | 375.831 |
| Exact Mass | 375.077 |
| XLogP3 | -1.3821 |
| Mr | 92.7091 |
| PSA | 166.82 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C1=C(C[n+]2ccc(n2CCO)N)CS[C@H]2N1C(=O)[C@H]2N.Cl |
