Molecule ID: mol24990

SMILES: CCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

InChI: InChI=1S/C21H31N3O2/c1-4-7-10-15-26-20-16-18(17-11-8-9-12-19(17)23-20)21(25)22-13-14-24(5-2)6-3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3,(H,22,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.91 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization