Molecule ID: mol26483

SMILES: CNCCc1nc2ccc(C)cc2[nH]1

InChI: InChI=1S/C11H15N3/c1-8-3-4-9-10(7-8)14-11(13-9)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization