User guide

Connolly Solvent Accessible Surface
Area
L Polar surface area Vapor pressure
Connolly Solvent-Excluded Volume LogP R W
E M Radius Water solubility
Exact Mass Mass S Wiener index
Property predictions in Chem3D
Chem3D lets you build, analyze and compute properties very easily. In addition to analyzing structures to calculate
mass and formula, predicting numerous physical properties, you can also perform calculations for molecular topology.
A list of properties available in Chem3D is listed in the table below. For more information on these properties, see
Chem3D online help or visit the PerkinElmer Informatics website.
B G Mol Weight Spin Density
Balaban Index Gibbs Free Energy Molecular Mass Sum Of Degrees
Boiling Point H Molecular Surfaces Sum of Valence Degrees
C Harmonic Zero Point Energy Molecular Topological Index T
C
P
Heat Capacity Molecular Volume Thermodynamic Energy
C
v
Heat of Formation Mulliken Charges Topological Diameter
Cluster Count Henry’s Law Constant Mulliken Populations Total Connectivity
Connolly Accessible Area Hyper Polarizability m/z Total Energy
Connolly Molecular Area Hyperfine Coupling Constants N Total Valence Connectivity
Connolly Solvent Excluded Volume I Num Rotatable Bonds V
Critical Pressure Ideal Gas Thermal Capacity O Vapor Pressure
Critical Temperature Internal Energy Ovality W
Critical Volume Ionization Potential P Water Solubility
D K Partition Coefficient Wiener Index
Dipole Kinetic Energy pKa Z
E L Polar Surface Area Zero-Point Energy
Electron Density LogP Polarizability
Electrostatic Potential LogS Potential Energy
Elemental Analysis Lowdin Charges Principal Moment
Enthalpy Lowdin Populations R
Entropy M Radius
ChemBioDraw 13.0
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