Comments (1)
This particular problem is from the molecule that came from InChI, not the fragmentation:
In [12]: m =Chem.MolFromInchi('InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)')
In [13]: Descriptors.MolWt(m)
Out[13]: 9.072
from rdkit.
Related Issues (20)
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from rdkit.