Base information
| Cat. No. | |
| CAS No. | 100866-13-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13NO |
| Molecular Weight | 211.259 |
| Exact Mass | 211.1 |
| XLogP3 | 2.8154 |
| Mr | 63.8845 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)C(=O)Cc1ccncc1 |
