Molecule ID: mol18577

SMILES: OB(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1

InChI: InChI=1S/C14H20BN3O2S/c19-15(20)13-9-5-4-6-11(13)10-16-18-14(21)17-12-7-2-1-3-8-12/h4-6,9-10,12,19-20H,1-3,7-8H2,(H2,17,18,21)/b16-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization