Molecule ID: mol3576

SMILES: CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)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
8.53 IUPAC digitized pKa 1 » 0
8.58 OCHEM 1 » 0
8.58 Datawarrior 1 » 0
10.35 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization