Molecule ID: mol503
SMILES: CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O
InChI: InChI=1S/C17H15ClN2O2S/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)/t15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Hunt | 1 » 0 |
| 8.19 | Hunt | 0 » -1 |