Molecule ID: mol16494
SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C17H18N4O3/c1-4-15-19-16-10(2)7-11(3)18-17(16)20(15)9-12-5-6-14(22)13(8-12)21(23)24/h5-8,22H,4,9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | Baltruschat ChEMBL | 0 » -1 |
| 8.10 | Baltruschat ChEMBL | 0 » -1 |