Molecule ID: mol15358
SMILES: O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2s1
InChI: InChI=1S/C16H9NO3S/c18-10-6-5-9-7-11(16(19)20-13(9)8-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | Datawarrior | 0 » -1 |
| 7.02 | OCHEM | 0 » -1 |