MLchartDataset catalogue

2D property

Term · Chemistry · MLC-T-CHM-000011

A characteristic of a chemical structure derived solely from its two-dimensional representation, such as a molecular graph or connectivity table. These properties do not account for the three-dimensional spatial arrangement of atoms. Examples include molecular weight, the number of rotatable bonds, or the count of specific atom types.

Table 1. Record
IdentifierMLC-T-CHM-000011
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)
See alsoMolecular fingerprints; Structure diagram; Topological index; Topological polar surface area
Record as JSON
{
  "id": "MLC-T-CHM-000011",
  "term": "2D property",
  "field": "Chemistry",
  "definition": "A characteristic of a chemical structure derived solely from its two-dimensional representation, such as a molecular graph or connectivity table. These properties do not account for the three-dimensional spatial arrangement of atoms. Examples include molecular weight, the number of rotatable bonds, or the count of specific atom types.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "molecular fingerprints",
    "structure diagram",
    "topological index",
    "topological polar surface area"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/2d-property/"
}

Record 11 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.