Molecule ID: mol20278

SMILES: C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3cc(Cl)ccc3c21

InChI: InChI=1S/C21H20Cl2N4/c1-27-18-11-13(23)3-5-16(18)19(25-14-6-8-24-9-7-14)20-21(27)15-4-2-12(22)10-17(15)26-20/h2-5,10-11,14,24H,6-9H2,1H3,(H,25,26)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.30 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization