Molecule ID: mol20608
SMILES: O=C(N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O)c1c(Cl)cccc1Cl
InChI: InChI=1S/C24H23Cl2N3O4/c25-18-5-3-6-19(26)22(18)23(30)29-20(24(31)32)15-16-8-10-17(11-9-16)33-14-4-13-28-21-7-1-2-12-27-21/h1-3,5-12,20H,4,13-15H2,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | Baltruschat ChEMBL | 0 » -1 |