Base information
| Cat. No. | |
| CAS No. | 171006-96-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H7N3O |
| Molecular Weight | 113.118 |
| Exact Mass | 113.059 |
| XLogP3 | 0.7954 |
| Mr | 28.4754 |
| PSA | 64.94 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCc1nc(no1)N |
