Molecule ID: mol19021

SMILES: Cc1[nH]c2c(NCc3ccccc3)nccc2c1C

InChI: InChI=1S/C16H17N3/c1-11-12(2)19-15-14(11)8-9-17-16(15)18-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3,(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.79 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization