Molecule ID: mol32050

SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/N=C(N)N)CC[C@]12O

InChI: InChI=1S/C21H36N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h12-17,26-27H,3-11H2,1-2H3,(H4,22,23,25)/b24-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.35 OCHEM 0 » -1
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Charge States and Microspecies Visualization