Molecule ID: mol17621

SMILES: CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1

InChI: InChI=1S/C22H29N3O3/c1-16(2)24-9-7-18(8-10-24)28-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-27-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization