Base information
| Cat. No. | |
| CAS No. | 120693-49-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H29NO |
| Molecular Weight | 311.461 |
| Exact Mass | 311.225 |
| XLogP3 | 5.3878 |
| Mr | 102.032 |
| PSA | 22 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 2 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CCCC/C=C\CCCCCc1cc(=O)c2c(n1C)cccc2 |