Molecule ID: mol38133

SMILES: COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3NCC2

InChI: InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.48 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization