User 5eb13cd417

27-02-2016 02:22:13

Hello,

After reading the online documentation I don't seem to find the definition of the units of measure for the following calculations when I run this query:

http://www.chemicalize.org/structure/#!mol=ethanol&source=calculate

- Charge
- Y-axis for Isoelectric

point (also: pl=xxx) - Molecular refractivity
- Orbital Electronegativity

- pi E in Huckel

In this example:

https://docs.chemaxon.com/pages/viewpage.action?pageId=12584079 ,

what is the Y coordinate? any relation to published Donor and Acceptor numbers? (Such as, Dimethyl Sulfoxide: DN=29.8 and AN=19.3)

What are the numbers in the examples below? The red and the blue numbers?

https://docs.chemaxon.com/display/CALCPLUGS/Orbital+Electronegativity+Plugin

https://docs.chemaxon.com/pages/viewpage.action?pageId=12584082

Any help would be much appreciated!

Thank you.