Base information
| Cat. No. | |
| CAS No. | 53786-28-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14ClN3O |
| Molecular Weight | 251.712 |
| Exact Mass | 251.083 |
| XLogP3 | 2.2363 |
| Mr | 72.6614 |
| PSA | 49.82 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc2c(c1)[nH]c(=O)n2C1CCNCC1 |
