Molecule ID: mol19076

SMILES: CC(=O)N1CCN(CCCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1

InChI: InChI=1S/C26H28N6O2/c1-18(33)32-11-9-31(10-12-32)8-2-3-13-34-22-7-5-19-14-24-25(29-30-26(24)23(19)15-22)20-4-6-21(16-27)28-17-20/h4-7,15,17H,2-3,8-14H2,1H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization