Molecule ID: mol33983

SMILES: CCCCC(=Cc1ccc2cccnc2c1O)CC

InChI: InChI=1S/C17H21NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-12,19H,3-5,7H2,1-2H3

Experimental Macro pKa Values

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