Molecule ID: mol18652

SMILES: CNC(=O)c1cn2c(C)c(C)nc2c2c1CCC1(CCc3ccccc31)O2

InChI: InChI=1S/C22H23N3O2/c1-13-14(2)25-12-17(21(26)23-3)16-9-11-22(27-19(16)20(25)24-13)10-8-15-6-4-5-7-18(15)22/h4-7,12H,8-11H2,1-3H3,(H,23,26)

Experimental Macro pKa Values

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