Molecule ID: mol19172

SMILES: CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization