Molecule ID: mol21681

SMILES: O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCc1c-2[nH]c2ccccc12

InChI: InChI=1S/C26H28N4O2/c31-26-21-17-18(32-16-6-14-29-12-4-1-5-13-29)9-10-23(21)28-25-24-20(11-15-30(25)26)19-7-2-3-8-22(19)27-24/h2-3,7-10,17,27H,1,4-6,11-16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization