Molecule ID: mol21686

SMILES: CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C

InChI: InChI=1S/C21H38N2O4/c1-14(2)19-8-7-9-20(26-12-17(24)10-22-15(3)4)21(19)27-13-18(25)11-23-16(5)6/h7-9,14-18,22-25H,10-13H2,1-6H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.24 OCHEM 2 » 1
9.24 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization