Molecule ID: mol20620
SMILES: O=C(N[C@@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)C(=O)O)c1c(Cl)cccc1Cl
InChI: InChI=1S/C28H29Cl2N3O4/c29-22-8-4-9-23(30)26(22)27(34)33-24(28(35)36)17-18-11-13-21(14-12-18)37-16-15-20-7-3-10-25(32-20)31-19-5-1-2-6-19/h3-4,7-14,19,24H,1-2,5-6,15-17H2,(H,31,32)(H,33,34)(H,35,36)/t24-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | Baltruschat ChEMBL | 0 » -1 |