Base information
| Cat. No. | |
| CAS No. | 334757-72-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.267 |
| Exact Mass | 260.047 |
| XLogP3 | 2.1371 |
| Mr | 61.3967 |
| PSA | 138.1 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCNc1cc(N)ccc1S(=O)(=O)O |
