19. Charge descriptors
Definition
Charge descriptors are used to describe about the electron phase in all of the specific domains such as the whole molecule, atoms, bonds, and molecular fragments. It is an electronic descriptor that defines about atomic charges.
Relevant descriptors
No. Descriptor 1 maximum positive charge 2 maximum negative charge 3 total positive charge 4 total negative charge 5 total absolute charge 6 mean absolute charge 7 total squared charge 8 relative positive charge 9 relative negative charge 10 submolecular polarity parameter 11 topological electronic descriptor 12 topological electronic descriptor (bond restricted) 13 partial charge weighted topological electronic descriptor 14 local dipole index
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Property Information
- Molecule Information
- ConstantProperty
- Absolute Entropy of Ideal Gas at 298.15K and 1bar
- Acentric factor
- Critial Volume
- Critical compressibility factor
- Critical Pressure
- Critical Temperature
- Dipole moment
- Electron affinity
- Enthalpy of Formation for Ideal Gas at 298.15K
- Enthalpy of Fusion at melting point
- Flash Point
- Gibbs Energy of Formation for Ideal Gas at 298.15 K and 1 bar
- Heat of Vaporization at 298.15K
- Heat of Vaporization at Normal Boiling Point
- Ionization potential
- Liquid Density at Normal Boiling Point
- Liquid Molar Volume at 298.15K
- Lower Flammability Limit Temperature
- Lower Flammability Limit Volume Percent
- Magnetic Susceptibility
- Net standard state enthalpy of Combustion at 298.15K
- Normal boiling point
- Parachor
- Polarizability
- Radius of Gyration
- Refractive index
- solubility parameter
- Standard State Absolute Entropy at 298.15K and 1bar
- Standard state enthalpy of formation at 298.15K and 1bar
- Standard state Gibbs Energy of Formation at 298.15K
- Upper flammability limit temperature
- Upper flammability limit volume percent
- Van der Waals Area
- Van der Waals reduced volume
- Temperature Dependent Property
- Descriptor
- 1 Constitutional descriptors
- 2 Topological descriptors
- 3 Walk and path counts
- 4 Connectivity indices
- 5 Information indices
- 6 List of 2D autocorrelation indices
- 7 Edge adjacency indices
- 8 Burden eigenvalues descriptors
- 9 Topological charge indices
- 10 Eigenvalue-based indices
- 11 Randic molecular profiles
- 12 Geometrical descriptors
- 13 RDF descriptor
- 14 3D-MoRSE descriptors
- 15 WHIM descriptors
- 16 GETAWAY descriptors
- 17 Functional group counts
- 18 Atom-centred fragments
- 19 Charge descriptors
- 20 Molecular properties
- 21 2D binary fingerprints
- 22 2D frequency fingerprints
- 23 Quantum Chemical
- 24 Electrostatic
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- ETC
- Quantum Mechanics Information
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