Molecule ID: mol643
SMILES: [O-][S@@+](Cc1ccccn1)c1nc2ccccc2[nH]1
InChI: InChI=1S/C13H11N3OS/c17-18(9-10-5-3-4-8-14-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,9H2,(H,15,16)/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | Hunt | 2 » 1 |
| 8.80 | Hunt | 0 » -1 |