Molecule ID: mol17538

SMILES: O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1

InChI: InChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization