Molecule ID: mol28412
SMILES: N=C(N)NNS(=O)(=O)c1ccc(N)cc1
InChI: InChI=1S/C7H11N5O2S/c8-5-1-3-6(4-2-5)15(13,14)12-11-7(9)10/h1-4,12H,8H2,(H4,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | AttenGpKa training set | 2 » 1 |
| 4.48 | AttenGpKa training set | 1 » 0 |