Molecule ID: mol3577

SMILES: CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN1CCCCC1

InChI: InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 QSARToolbox 1 » 0
9.40 IUPAC digitized pKa 1 » 0
9.40 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization