Molecule ID: mol18733

SMILES: CCC12CCC(=O)C=C1c1c(cc(OCc3nn[nH]n3)c(Cl)c1Cl)C2

InChI: InChI=1S/C17H16Cl2N4O2/c1-2-17-4-3-10(24)6-11(17)14-9(7-17)5-12(15(18)16(14)19)25-8-13-20-22-23-21-13/h5-6H,2-4,7-8H2,1H3,(H,20,21,22,23)

Experimental Macro pKa Values

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