Molecule ID: mol29769

SMILES: C/C=C1/C(=O)Nc2cccc(CCN(CCC)CCC)c21

InChI: InChI=1S/C18H26N2O/c1-4-11-20(12-5-2)13-10-14-8-7-9-16-17(14)15(6-3)18(21)19-16/h6-9H,4-5,10-13H2,1-3H3,(H,19,21)/b15-6+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.36 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization