Molecule ID: mol32659

SMILES: CN1CCC23c4c5ccc(O)c4OC2(C)C(=O)CCC3C1C5

InChI: InChI=1S/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.08 OCHEM 1 » 0
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Charge States and Microspecies Visualization