Base information
| Cat. No. | |
| CAS No. | 42940-56-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.224 |
| Exact Mass | 217.085 |
| XLogP3 | 0.81156 |
| Mr | 57.1177 |
| PSA | 93.75 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC1C(=O)NC(=O)C(C21CCCC2)C#N |
