Molecule ID: mol15570
SMILES: NC1=NC(CC(=O)O)C(=O)N1CCCC(N)C(=O)O
InChI: InChI=1S/C10H16N4O5/c11-5(9(18)19)2-1-3-14-8(17)6(4-7(15)16)13-10(14)12/h5-6H,1-4,11H2,(H2,12,13)(H,15,16)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.86 | Datawarrior | 2 » 1 |
| 2.56 | OCHEM | 2 » 1 |
| 3.26 | Datawarrior | 1 » 0 |
| 8.10 | Datawarrior | 0 » -1 |
| 9.55 | Datawarrior | -1 » -2 |
| 9.55 | OCHEM | -1 » -2 |