Base information
| Cat. No. | |
| CAS No. | 161798-02-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H12N2O3S |
| Molecular Weight | 288.322 |
| Exact Mass | 288.057 |
| XLogP3 | 2.87248 |
| Mr | 75.3405 |
| PSA | 111.45 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)O |
