Molecule ID: mol5995
SMILES: OCCN(CCO)c1ccccc1
InChI: InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.99 | IUPAC digitized pKa | 1 » 0 |
| 4.07 | IUPAC digitized pKa | 1 » 0 |
| 4.10 | IUPAC digitized pKa | 1 » 0 |
| 4.11 | Datawarrior | 1 » 0 |
| 4.11 | OCHEM | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |
| 4.12 | AttenGpKa training set | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.44 | IUPAC digitized pKa | 1 » 0 |