Molecule ID: mol25593
SMILES: Oc1ccccc1C1NNC(=S)N1c1ccccc1
InChI: InChI=1S/C14H13N3OS/c18-12-9-5-4-8-11(12)13-15-16-14(19)17(13)10-6-2-1-3-7-10/h1-9,13,15,18H,(H,16,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.31 | AttenGpKa training set | 2 » 1 |