Base information
| Cat. No. | |
| CAS No. | 100791-05-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.251 |
| Exact Mass | 231.101 |
| XLogP3 | 1.2815 |
| Mr | 63.6629 |
| PSA | 78.61 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1 |
