User f6c6285e8e
07-08-2015 21:13:33
I have been using chemicalize to get some idea of the pKas for a series of chemicals. I use the pKa graph property. I have noticed that there are instances (I think many) where observation of this graph doesn't agree with what is labeled as the major microspecies at pH 7.4 at a different part of the properties page. An example is BrC=1C(=O)N(C(CC)C)C(O)=NC=1C. Any ideas? Which should i trust, if either? thanks