Base information
| Cat. No. | |
| CAS No. | 1316695-35-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8FN5 |
| Molecular Weight | 229.213 |
| Exact Mass | 229.076 |
| XLogP3 | 1.9905 |
| Mr | 61.3624 |
| PSA | 70.25 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Fc1ccc2c(c1)[nH]cc2/C=C/c1n[nH]nn1 |