Base information
| Cat. No. | |
| CAS No. | 531-57-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12ClN3S |
| Molecular Weight | 277.772 |
| Exact Mass | 277.044 |
| XLogP3 | 1.0127 |
| Mr | 81.0961 |
| PSA | 79.18 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CNc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.[Cl-] |
