Molecule ID: mol29700

SMILES: O=C1C=CC[C@@H]2[C@H]3CCC[N@+]4(O)CCC[C@@H](CN12)[C@@H]34

InChI: InChI=1S/C15H23N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15,19H,2-6,8-10H2/q+1/t11-,12+,13+,15-,17+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.92 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization