Molecule ID: mol7819
SMILES: Cc1n[nH]c2c1CCCC2
InChI: InChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | IUPAC digitized pKa | 1 » 0 |
| 4.65 | AttenGpKa training set | 1 » 0 |
| 4.65 | AttenGpKa training set | 1 » 0 |