Molecule ID: mol3110
SMILES: NCCOCCOCCN
InChI: InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 8.74 | AttenGpKa training set | 1 » 0 |
| 8.87 | IUPAC digitized pKa | 1 » 0 |
| 9.16 | IUPAC digitized pKa | 1 » 0 |
| 9.17 | OCHEM | 1 » 0 |
| 9.30 | IUPAC digitized pKa | 1 » 0 |
| 9.57 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | OCHEM | 1 » 0 |
| 9.73 | AttenGpKa training set | 1 » 0 |
| 9.88 | IUPAC digitized pKa | 1 » 0 |
| 10.14 | IUPAC digitized pKa | 1 » 0 |