Molecule ID: mol29653
SMILES: N=C(N)NC(=O)c1nc(Cl)c(S)nc1N
InChI: InChI=1S/C6H7ClN6OS/c7-2-5(15)12-3(8)1(11-2)4(14)13-6(9)10/h(H3,8,12,15)(H4,9,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 1 » 0 |
| 4.00 | AttenGpKa training set | 1 » 0 |