Base information
| Cat. No. | |
| CAS No. | 1316-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11FeN |
| Molecular Weight | 225.067 |
| Exact Mass | 225.024 |
| XLogP3 | 2.32438 |
| Mr | 52.363 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.N#CC[C]1[CH][CH][CH][CH]1.[Fe] |
