Molecule ID: mol8273
SMILES: CCCCNc1nc(C)nc2c1ncn2C
InChI: InChI=1S/C11H17N5/c1-4-5-6-12-10-9-11(15-8(2)14-10)16(3)7-13-9/h7H,4-6H2,1-3H3,(H,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.01 | AttenGpKa training set | 1 » 0 |