Molecule ID: mol17359

SMILES: OB(O)c1cc2cc(CN3CCNCC3)ccc2s1

InChI: InChI=1S/C13H17BN2O2S/c17-14(18)13-8-11-7-10(1-2-12(11)19-13)9-16-5-3-15-4-6-16/h1-2,7-8,15,17-18H,3-6,9H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.39 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization