Molecule ID: mol31775
SMILES: O=C(O)Cc1ccc2c(c1)SCc1ccccc1C2=O
InChI: InChI=1S/C16H12O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | OCHEM | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |