Base information
| Cat. No. | |
| CAS No. | 5334-29-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7ClN4O |
| Molecular Weight | 246.652 |
| Exact Mass | 246.031 |
| XLogP3 | 1.7622 |
| Mr | 64.4957 |
| PSA | 63.57 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 26 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)n1ncc2c1nc[nH]c2=O |
