Molecule ID: mol19028

SMILES: Cc1cccc(C)c1CNc1nccn2c(C)c(C)cc12

InChI: InChI=1S/C18H21N3/c1-12-6-5-7-13(2)16(12)11-20-18-17-10-14(3)15(4)21(17)9-8-19-18/h5-10H,11H2,1-4H3,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization