Molecule ID: mol7633
SMILES: CCNc1nc(NC(C)C)nc(OC)n1
InChI: InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |