Molecule ID: mol17622

SMILES: O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1

InChI: InChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization