Molecule ID: mol17411
SMILES: NC(CCCCCSc1cc(Cl)ccc1O)C(=O)O
InChI: InChI=1S/C13H18ClNO3S/c14-9-5-6-11(16)12(8-9)19-7-3-1-2-4-10(15)13(17)18/h5-6,8,10,16H,1-4,7,15H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | OCHEM | 0 » -1 |
| 8.55 | Baltruschat ChEMBL | 0 » -1 |
| 8.55 | QSARToolbox | 0 » -1 |