Molecule ID: mol5048
SMILES: O=C(O)CSc1nc2ccc3c(c2[nH]1)CCCC3
InChI: InChI=1S/C13H14N2O2S/c16-11(17)7-18-13-14-10-6-5-8-3-1-2-4-9(8)12(10)15-13/h5-6H,1-4,7H2,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | IUPAC digitized pKa | 0 » -1 |
| 11.91 | IUPAC digitized pKa | -1 » -2 |