Molecule ID: mol15096
SMILES: CC1=C(CC(C)NCC(O)c2ccc(C)cc2)CCC1(C)C
InChI: InChI=1S/C20H31NO/c1-14-6-8-17(9-7-14)19(22)13-21-15(2)12-18-10-11-20(4,5)16(18)3/h6-9,15,19,21-22H,10-13H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | Datawarrior | 1 » 0 |
| 8.71 | OCHEM | 1 » 0 |