Multiple Properties

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Multiple Properties

This will perform a set of property calculations for the entered SMILES.

You select the properties to be calculated by selecting the checkboxes.

For vapor pressure, polarizability, Henry's constant and solubility you can select the units to be reported.

For Henry's constant, solubility and activity you can select the solvent to be used.

For log distribution coefficient you must select the two solvents to be used.

You also set the temperature (degrees C) to be used and for boiling point the ambient pressure in Torr.

When you press the calculate button a table of results is presented.

Click here to watch a tutorial video.