Molecule ID: mol7613
SMILES: CCNc1nc(NCC)nc(OC)n1
InChI: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | AttenGpKa training set | 1 » 0 |