Molecule ID: mol20617
SMILES: O=C(N[C@@H](Cc1ccc(OCCNc2nc3ccccc3s2)cc1)C(=O)O)c1c(Cl)cccc1Cl
InChI: InChI=1S/C25H21Cl2N3O4S/c26-17-4-3-5-18(27)22(17)23(31)29-20(24(32)33)14-15-8-10-16(11-9-15)34-13-12-28-25-30-19-6-1-2-7-21(19)35-25/h1-11,20H,12-14H2,(H,28,30)(H,29,31)(H,32,33)/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Baltruschat ChEMBL | 0 » -1 |