Base information
| Cat. No. | |
| CAS No. | 181871-74-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.187 |
| Exact Mass | 191.069 |
| XLogP3 | 1.0951 |
| Mr | 53.2601 |
| PSA | 81 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2nc(N)[nH]c(=O)c2cc1 |
