Molecule ID: mol24417

SMILES: CNCCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12

InChI: InChI=1S/C21H25N/c1-22-15-7-6-13-21-14-12-16(17-8-2-4-10-19(17)21)18-9-3-5-11-20(18)21/h2-5,8-11,16,22H,6-7,12-15H2,1H3/t16-,21+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.57 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization