Molecule ID: mol30341

SMILES: COc1cc(NC(C)CCCN2C(=O)CNC23CCCC3)c2ncccc2c1

InChI: InChI=1S/C22H30N4O2/c1-16(7-6-12-26-20(27)15-24-22(26)9-3-4-10-22)25-19-14-18(28-2)13-17-8-5-11-23-21(17)19/h5,8,11,13-14,16,24-25H,3-4,6-7,9-10,12,15H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.61 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization