Base information
| Cat. No. | |
| CAS No. | 111083-78-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H39N3O6Zr |
| Molecular Weight | 628.871 |
| Exact Mass | 627.189 |
| XLogP3 | 8.1999 |
| Mr | 153.326 |
| PSA | 164.8 |
| Sequence | - |
| Atom number | 79 |
| Bond number | 83 |
| Ring number | 5 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | C=CC[O]1CC2(CC)C[O-][Zr+4]1([O-]c1cccc(c1)N)([O-]c1cccc(c1)N)([O-]c1cccc(c1)N)[O](C2)CC=C |
