Molecule ID: mol13434
SMILES: Cc1c(O)cncc1C1CCCCC1
InChI: InChI=1S/C12H17NO/c1-9-11(7-13-8-12(9)14)10-5-3-2-4-6-10/h7-8,10,14H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | Datawarrior | 1 » 0 |
| 10.00 | Datawarrior | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |