Molecule ID: mol5908
SMILES: CCC(O)CN(CC)CC(C)O
InChI: InChI=1S/C9H21NO2/c1-4-9(12)7-10(5-2)6-8(3)11/h8-9,11-12H,4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | 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 |