Base information
| Cat. No. | |
| CAS No. | 14235-81-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.148 |
| Exact Mass | 117.058 |
| XLogP3 | 1.8313 |
| Mr | 38.7814 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)N |
