Molecule ID: mol14722
SMILES: O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1
InChI: InChI=1S/C15H11N3OS/c19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | Datawarrior | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |