Base information
| Cat. No. | |
| CAS No. | 131926-97-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.338 |
| Exact Mass | 271.078 |
| XLogP3 | 3.2642 |
| Mr | 77.0857 |
| PSA | 87.1 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Oc1ccnc(c1C)CSc1nc2c([nH]1)cccc2 |
