Molecule ID: mol19133
SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21
InChI: InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 0 » -1 |