Base information
| Cat. No. | |
| CAS No. | 40054-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13ClN4S |
| Molecular Weight | 328.819 |
| Exact Mass | 328.055 |
| XLogP3 | 3.3312 |
| Mr | 93.335 |
| PSA | 71.31 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 38 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCc1cc2c(-n3cnnc3CN=C2c2ccccc2Cl)s1 |
