Molecule ID: mol5312
SMILES: O=S(=O)(O)CCNc1ccccc1
InChI: InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |