Base information
| Cat. No. | |
| CAS No. | 111757-17-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H19N3O |
| Molecular Weight | 221.299 |
| Exact Mass | 221.153 |
| XLogP3 | 2.1567 |
| Mr | 68.0097 |
| PSA | 48.46 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCN(C=Nc1cccc(=O)[nH]1)CCC |
