Molecule ID: mol14823
SMILES: O=C(O)CSc1nc2cc3c(cc2[nH]1)CCCC3
InChI: InChI=1S/C13H14N2O2S/c16-12(17)7-18-13-14-10-5-8-3-1-2-4-9(8)6-11(10)15-13/h5-6H,1-4,7H2,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | QSARToolbox | 0 » -1 |
| 5.20 | Datawarrior | 0 » -1 |