Molecule ID: mol21688

SMILES: CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization