Base information
| Cat. No. | |
| CAS No. | 106012-58-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5N3O |
| Molecular Weight | 147.134 |
| Exact Mass | 147.043 |
| XLogP3 | 0.5418 |
| Mr | 38.3745 |
| PSA | 47.26 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cnc2n1ccnc2 |
