Base information
| Cat. No. | |
| CAS No. | 13114-27-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H13N5O |
| Molecular Weight | 219.243 |
| Exact Mass | 219.112 |
| XLogP3 | 0.7764 |
| Mr | 60.9052 |
| PSA | 86.72 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(=CCNc1ncnc2c1nc[nH]2)CO |
