Molecule ID: mol8274
SMILES: CCCCNc1nc2cnc(C)nc2n1C
InChI: InChI=1S/C11H17N5/c1-4-5-6-12-11-15-9-7-13-8(2)14-10(9)16(11)3/h7H,4-6H2,1-3H3,(H,12,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | IUPAC digitized pKa | 1 » 0 |
| 5.45 | AttenGpKa training set | 1 » 0 |