Molecule ID: mol3412
SMILES: CC(N)CCc1ccc(O)cc1
InChI: InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.14 | IUPAC digitized pKa | 1 » 0 |
| 9.14 | Datawarrior | 1 » 0 |
| 9.14 | AttenGpKa training set | 1 » 0 |
| 9.14 | OCHEM | 1 » 0 |