Molecule ID: mol29557

SMILES: CC1=CC(C)(C)Nc2cc(C)ccc21

InChI: InChI=1S/C13H17N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-8,14H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization