Molecule ID: mol18659

SMILES: Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C25H27N3O3/c1-16-17(2)28-15-20(24(29)27-11-13-30-14-12-27)19-8-10-25(31-22(19)23(28)26-16)9-7-18-5-3-4-6-21(18)25/h3-6,15H,7-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization