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Enter a molecular formular and optionally further restrictions into the form below. Alternatively, choose one of the examples.

Generate all structural isomers of C6H6.
Generate all halogenated ethanes.
Generate all chlorinated benzenes.
Generate nitrobenzene.
Generate all (theoretically possible) structures of mass <=40 with elements C, H, N3, N5, O together with a 3D layout.

After pressing submit, the corresponding molecular structures will be generated. You can see the number of generated structures as well as the first 1000 structures in the molecule viewer on the right.

Note that in this internet version, the computation time is limited to 5 minutes per job. Further, the most powerful restrictions of the commercial versions of MOLGEN, namely the possibilities to prescribe and to forbid the occurence of substructures in the generated structures, are not available in this internet version.

0 structures (not started):

Structure 0.

         
Formula:

layout: 2D    3D

Restrictions corresponding to the formula:
atoms:

molecular mass:

charge:

isotope:

radicals:

atomsums:


Restrictions corresponding to the atom states:
bonds:

cycles:

maximal bond
multiplicity:

single bonds:

double bonds:

triple bonds:

aromatic bonds:


Restrictions corresponding to the molecular graph:
ring sizes:

© MOLGEN 1985-2010 by Ralf Gugisch, Reinhard Laue, Adalbert Kerber, Axel Kohnert, Markus Meringer, Christoph Rücker and Alfred Wassermann