Base information
| Cat. No. | |
| CAS No. | 51811-82-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14ClN3S |
| Molecular Weight | 291.799 |
| Exact Mass | 291.06 |
| XLogP3 | 0.964 |
| Mr | 85.9974 |
| PSA | 70.39 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C.[Cl-] |
