Base information
| Cat. No. | |
| CAS No. | 13821-08-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5CaFeN6-- |
| Molecular Weight | 257.067 |
| Exact Mass | 256.955 |
| XLogP3 | 0.75158 |
| Mr | 37.502 |
| PSA | 142.74 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#[CH-][Fe+2]([CH-]#N)([C-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[Ca+2] |
