ClogP and CMR

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Specific algorithms for calculating LogP and molar refractivity from fragment-based methods developed by the Medicinal Chemistry Project and BioByte.

For more information, see: www.biobyte.com

Other Properties

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Heat of Formation, Gibbs Free Energy, Ideal Gas Thermal Capacity, Freezing Point, Critical Temperature, Critical Pressure, and Critical Volume are estimated using Joback's fragmentation method.

Normal Boiling Point and Melting Point-Estimated in K using two methods.

1. Joback's fragmentation method.

2. The Joback method as modified by Stein. All boiling points are estimated at a pressure of 1 atm.