Base information
| Cat. No. | |
| CAS No. | 1217977-04-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10D5N |
| Molecular Weight | 178.285 |
| Exact Mass | 178.152 |
| XLogP3 | 2.2313 |
| Mr | 56.4067 |
| PSA | 12.03 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C[C@H](Cc1c([2H])c([2H])c(c(c1[2H])[2H])[2H])NCC#C |
