Molecule ID: mol32470
SMILES: CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChI: InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.73 | OCHEM | 2 » 1 |
| 2.73 | QSARToolbox | 2 » 1 |
| 7.42 | OCHEM | 0 » -1 |