Base information
| Cat. No. | |
| CAS No. | 81453-98-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.286 |
| Exact Mass | 249.046 |
| XLogP3 | 3.0085 |
| Mr | 63.6965 |
| PSA | 64.52 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1 |
