Molecule ID: mol18654

SMILES: Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C24H25N3O2/c1-15-16(2)27-14-19(23(28)26-12-5-13-26)18-9-11-24(29-21(18)22(27)25-15)10-8-17-6-3-4-7-20(17)24/h3-4,6-7,14H,5,8-13H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.81 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization