Molecule ID: mol19856

SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1

InChI: InChI=1S/C22H31N5O/c1-15-12-18(26-11-9-19(14-26)27-10-5-6-16(27)2)7-8-20(15)23-22(28)21-13-17(3)25(4)24-21/h7-8,12-13,16,19H,5-6,9-11,14H2,1-4H3,(H,23,28)/t16-,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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization