Molecule ID: mol3959
SMILES: NCCN1CCNCC1
InChI: InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.06 | IUPAC digitized pKa | 2 » 1 |
| 8.37 | IUPAC digitized pKa | 2 » 1 |
| 8.51 | IUPAC digitized pKa | 2 » 1 |
| 8.51 | AttenGpKa training set | 2 » 1 |
| 8.87 | IUPAC digitized pKa | 2 » 1 |
| 9.13 | IUPAC digitized pKa | 2 » 1 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.63 | IUPAC digitized pKa | 1 » 0 |
| 9.63 | AttenGpKa training set | 1 » 0 |
| 9.99 | IUPAC digitized pKa | 1 » 0 |