Molecule ID: mol17412
SMILES: NC(CCCCCSc1ccccc1O)C(=O)O
InChI: InChI=1S/C13H19NO3S/c14-10(13(16)17)6-2-1-5-9-18-12-8-4-3-7-11(12)15/h3-4,7-8,10,15H,1-2,5-6,9,14H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | Baltruschat ChEMBL | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |