Calculate logP value

We have the license from chemaxon to calculate the logp and logD value. May I request to point me to an example to calculate logP and logD value. My development environment is on .NET frame work. 

Thanks

 Hi,

 

You can use the interface ICalculationService on a JChemMolecule instance via the property Calculations.

IJChemMolecule molecule = MainFactory.Chemistry.CreateMolecule("benzene");

double logP = molecule.Calculations.logP;

double logD = molecule.Calculations.GetlogD(7.4);

 

Please check this page:

https://www.chemaxon.com/dotNET/6.3/examples.html#calculations

 

Regards,

Gergely

gkovacs wrote:

Hi,   You can use the interface ICalculationService on a JChemMolecule instance via the property Calculations. IJChemMolecule molecule = MainFactory.Chemistry.CreateMolecule("benzene"); double logP = molecule.Calculations.logP; double logD = molecule.Calculations.GetlogD(7.4);   Please check this page: https://www.chemaxon.com/dotNET/6.3/examples.html#calculations   Regards, Gergely

Thanks got the value.