Molecule ID: mol38353

SMILES: CC1(C)CC(C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)N1[O]

InChI: InChI=1S/C22H25N4O2/c1-21(2)12-17(22(3,4)26(21)28)20(27)24-16-8-6-14-9-13-5-7-15(23)10-18(13)25-19(14)11-16/h5-11,17H,12,23H2,1-4H3,(H,24,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.98 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization