User guide

Function

CHEMPROPSTD_OVALITY(cell ref)

Example

In cell: =CHEMPROPSTD_OVALITY(A2)

Result: 1.428947

Principal moments of Inertia (X, Y, Z)

The moments of inertia when the Cartesian coordinate axes are the principal axes of the molecule.

Units

grams/mole angstroms

Function

CHEMPROPSTD_PRINCIPAL_MOMENT(cell ref)

Example

In cell: =CHEMPROPSTD_PRINCIPAL_MOMENT(A2)

Result: 249.546 1409.279 1658.824

Balaban index

Function

MOLECULAR_TOPOLOGY_BALABAN_INDEX(cell ref)

Example

In cell: =MOLECULAR_TOPOLOGY_BALABAN_INDEX(A2)

Result: 29909

Cluster count

Function

MOLECULAR_TOPOLOGY_CLUSTER_COUNT(cell ref)

Example

In cell: =MOLECULAR_TOPOLOGY_CLUSTER_COUNT(A2)

Result: 13

Topological index

Function

MOLECULAR_TOPOLOGY_MOLECULAR_TOPOLOGICAL_INDEX(cell ref)

Example

In cell: =MOLECULAR_TOPOLOGY_MOLECULAR_TOPOLOGICAL_INDEX(A2)

Result: 1998

ChemBioDraw 13.0

Chapter 10: ChemDraw/Excel 174 of 401