Molecule ID: mol5903
SMILES: CC(N)CCN
InChI: InChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | IUPAC digitized pKa | 2 » 1 |
| 8.72 | OCHEM | 2 » 1 |
| 10.20 | OCHEM | 1 » 0 |
| 10.50 | IUPAC digitized pKa | 1 » 0 |
| 10.50 | AttenGpKa training set | 1 » 0 |