Molecule ID: mol32824

SMILES: C=CC1(O)CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12

InChI: InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3

Experimental Macro pKa Values

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