Molecule ID: mol5139

SMILES: O=c1nc2n(CCCN3CCCCC3)c3cc(Cl)ccc3nc-2c(=O)[nH]1

InChI: InChI=1S/C18H20ClN5O2/c19-12-5-6-13-14(11-12)24(10-4-9-23-7-2-1-3-8-23)16-15(20-13)17(25)22-18(26)21-16/h5-6,11H,1-4,7-10H2,(H,22,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.00 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization