Molecule ID: mol19175

SMILES: CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)[nH]c3c2)CC1

InChI: InChI=1S/C21H29N3O3/c1-15(2)23-7-5-17(6-8-23)27-18-4-3-16-13-20(22-19(16)14-18)21(25)24-9-11-26-12-10-24/h3-4,13-15,17,22H,5-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization