Base information
| Cat. No. | |
| CAS No. | 158089-18-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N3O |
| Molecular Weight | 149.15 |
| Exact Mass | 149.059 |
| XLogP3 | 0.9665 |
| Mr | 40.3807 |
| PSA | 50.8 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nccc2c1[nH]cn2 |
