Molecule ID: mol18154

SMILES: Cc1nc2c3c(c(C(=O)N4CCNCC4)cn2c1C)CCC(c1ccccc1)O3

InChI: InChI=1S/C23H26N4O2/c1-15-16(2)27-14-19(23(28)26-12-10-24-11-13-26)18-8-9-20(17-6-4-3-5-7-17)29-21(18)22(27)25-15/h3-7,14,20,24H,8-13H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.44 OCHEM 2 » 1
6.44 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization