Molecule ID: mol12038
SMILES: CC1=Nc2nccnc2C(C2C(=O)CC(C)(C)CC2=O)N1
InChI: InChI=1S/C15H18N4O2/c1-8-18-12(13-14(19-8)17-5-4-16-13)11-9(20)6-15(2,3)7-10(11)21/h4-5,11-12H,6-7H2,1-3H3,(H,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |