Molecule ID: mol5912
SMILES: CCC(O)CN(C)CCO
InChI: InChI=1S/C7H17NO2/c1-3-7(10)6-8(2)4-5-9/h7,9-10H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | Datawarrior | 1 » 0 |