Molecule ID: mol19118
SMILES: CN(C)CCCCc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O
InChI: InChI=1S/C27H26ClN3O3/c1-30(2)11-7-6-8-15-12-20-18(14-22(15)32)23-21(31(20)3)13-17(16-9-4-5-10-19(16)28)24-25(23)27(34)29-26(24)33/h4-5,9-10,12-14,32H,6-8,11H2,1-3H3,(H,29,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Baltruschat ChEMBL | 0 » -1 |