Base information
| Cat. No. | |
| CAS No. | 100-69-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N |
| Molecular Weight | 105.137 |
| Exact Mass | 105.058 |
| XLogP3 | 1.7246 |
| Mr | 34.328 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C=Cc1ccccn1 |
