Molecule ID: mol17377

SMILES: CCCCCNC1=NCCN1OCCc1ccccc1

InChI: InChI=1S/C16H25N3O/c1-2-3-7-11-17-16-18-12-13-19(16)20-14-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization