Molecule ID: mol19129
SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCN3CCCC3)cc2n1CCO
InChI: InChI=1S/C30H30ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,8-9,15-17,35-36H,3-7,10-14H2,(H,32,37,38)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.50 | Baltruschat ChEMBL | -1 » -2 |