Molecule ID: mol16597

SMILES: OCCCNc1c2ccccc2nc2c1[nH]c1ccccc12

InChI: InChI=1S/C18H17N3O/c22-11-5-10-19-16-12-6-1-3-8-14(12)20-17-13-7-2-4-9-15(13)21-18(16)17/h1-4,6-9,21-22H,5,10-11H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization