Molecule ID: mol19031

SMILES: Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12

InChI: InChI=1S/C21H26N4O2/c1-13-6-5-7-14(2)18(13)11-23-19-10-17(21(27)22-8-9-26)12-25-16(4)15(3)24-20(19)25/h5-7,10,12,23,26H,8-9,11H2,1-4H3,(H,22,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.27 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization