JChem for Excel and SMARTS Substructure Search

User 12562e1acd

19-04-2016 19:51:49

I'm using SMARTS to do substructure searches in Excel 


Where H2=  =JCSYSStructure("10F932982D9F70FF69E6C13A5DC6847B")

And B71= [n]

Returns 1

Where the structure in H2 is:

Ethanolamine H2N-CH2-CH2-OH


The SMARTS nomenclature [n] should
indicate an aromatic nitrogen, which is clearly not present in this structure. 

ChemAxon a3dda216df

21-04-2016 07:48:42

Hi James and other users,

You can find the answer to this topic  and other related infos on this forum topic: