Molecule ID: mol19853

SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C

InChI: InChI=1S/C22H30N4O2/c1-14-12-18(25-11-9-19(13-25)26-10-5-6-15(26)2)7-8-20(14)23-22(27)21-16(3)24-28-17(21)4/h7-8,12,15,19H,5-6,9-11,13H2,1-4H3,(H,23,27)/t15-,19-/m0/s1

Experimental Macro pKa Values

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