Hi Greg,

Indeed it seems one bond is not tagged as aromatic.

Here are the aromatics bond (begin atom, end atom) :

0 1
1 19
19 16
11 14
14 12
12 7
7 20
11 0
20 16

We see that between the atom 11 and 16 it is not aromatic.
It is a single type:
16 11 SINGLE


The problem remains after sanitizing the molecule and both atoms are tagged as 
aromatic.
A bond between two aromatic atoms can be single?

On 06/03/19 10:49, Greg Landrum wrote:
Hi Colin,
The aromatic ring counting code identifies rings where every *bond* is aromatic, so I guess one or more bonds in the rings of the first molecule are not aromatic. Could it be that you haven't sanitized the molecule before calculating descriptors?
-greg
On Tue, Mar 5, 2019 at 6:00 PM Colin Bournez <colin.bour...@univ-orleans.fr <mailto:colin.bour...@univ-orleans.fr>> wrote:

    Dear all, I might have encountered a little problem concerning the
    function rdMolDescriptors.CalcNumAromaticRings(). For this
    molecule shown with index:

    Here is what I do :


    So I have as expected my aromatic atoms but when I ask for aromatic Rings 
it returns 0 instead of two.
    Anyone has an idea?

    For information if the molecule is in that form

    It returns 2 NAR as expected.

    Colin

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