Molecule ID: mol32314
SMILES: NC(Cc1c[nH]cn1)C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChI: InChI=1S/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | OCHEM | 3 » 2 |
| 7.80 | OCHEM | 0 » -1 |