Molecule ID: mol5906
SMILES: CCC(O)CN(CC)CC(O)CC
InChI: InChI=1S/C10H23NO2/c1-4-9(12)7-11(6-3)8-10(13)5-2/h9-10,12-13H,4-8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.40 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 9.20 | OCHEM | 1 » 0 |
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | IUPAC digitized pKa | 1 » 0 |
| 9.20 | Datawarrior | 1 » 0 |