Molecule ID: mol18892

SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCCCn3cnc([N+](=O)[O-])n3)c2c1

InChI: InChI=1S/C20H19ClN6O3/c1-30-14-5-7-17-16(11-14)19(15-6-4-13(21)10-18(15)24-17)22-8-2-3-9-26-12-23-20(25-26)27(28)29/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization