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Hansch equation

Term · Chemistry · MLC-T-CHM-005092

A quantitative structure-activity relationship equation that relates the logarithm of the reciprocal of the molar concentration giving a standard biological effect, log(1/C), to the hydrophobicity and electronic character of a compound. In its parabolic form, log(1/C) = a log P minus b (log P)^2 plus rho sigma plus k, where sigma is the Hammett constant. The squared term gives an optimum at log P equal to a divided by 2b, and a steric term such as Taft's Es is added when needed.

Table 1. Record
IdentifierMLC-T-CHM-005092
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204)
See alsoBilinear equation; Log P
Record as JSON
{
  "id": "MLC-T-CHM-005092",
  "term": "Hansch equation",
  "field": "Chemistry",
  "definition": "A quantitative structure-activity relationship equation that relates the logarithm of the reciprocal of the molar concentration giving a standard biological effect, log(1/C), to the hydrophobicity and electronic character of a compound. In its parabolic form, log(1/C) = a log P minus b (log P)^2 plus rho sigma plus k, where sigma is the Hammett constant. The squared term gives an optimum at log P equal to a divided by 2b, and a steric term such as Taft's Es is added when needed.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "bilinear equation",
    "log P"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/hansch-equation/"
}

Record 5,395 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.