Molecule ID: mol14704
SMILES: COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[nH]1
InChI: InChI=1S/C13H13N5O2/c1-18-6-15-12-13(18)17-11(16-12)8-4-3-7(10(14)19)5-9(8)20-2/h3-6H,1-2H3,(H2,14,19)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 11.74 | Datawarrior | 0 » -1 |
| 11.74 | OCHEM | 0 » -1 |