Base information
| Cat. No. | |
| CAS No. | 1000896-45-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H13N3O2 |
| Molecular Weight | 171.197 |
| Exact Mass | 171.101 |
| XLogP3 | 0.9868 |
| Mr | 44.9901 |
| PSA | 73.16 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(Oc1cc(n[nH]1)N)COC |
