Molecule ID: mol18658
SMILES: Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CCC1(CCc2ccccc21)O3
InChI: InChI=1S/C26H29N3O2/c1-17-18(2)29-16-21(25(30)28-14-6-3-7-15-28)20-11-13-26(31-23(20)24(29)27-17)12-10-19-8-4-5-9-22(19)26/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.81 | Baltruschat ChEMBL | 1 » 0 |