Base information
| Cat. No. | |
| CAS No. | 5938-16-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.222 |
| Exact Mass | 185.084 |
| XLogP3 | 2.7572 |
| Mr | 56.165 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)c1ccncc1 |
