Molecule ID: mol15097
SMILES: CC1=C(CC(C)NCC(O)c2ccc(Cl)cc2)CCC1(C)C
InChI: InChI=1S/C19H28ClNO/c1-13(11-16-9-10-19(3,4)14(16)2)21-12-18(22)15-5-7-17(20)8-6-15/h5-8,13,18,21-22H,9-12H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | Datawarrior | 1 » 0 |
| 8.55 | OCHEM | 1 » 0 |