Molecule ID: mol29593
SMILES: N=C(N)NC(=O)c1nc(Cl)cnc1N
InChI: InChI=1S/C6H7ClN6O/c7-2-1-11-4(8)3(12-2)5(14)13-6(9)10/h1H,(H2,8,11)(H4,9,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | QSARToolbox | 1 » 0 |
| 7.10 | AttenGpKa training set | 1 » 0 |