Molecule ID: mol6196
SMILES: CCNCC(O)c1cccc(O)c1
InChI: InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.98 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | OCHEM | 0 » -1 |
| 9.80 | Baltruschat ChEMBL | 0 » -1 |
| 10.16 | IUPAC digitized pKa | 0 » -1 |