Using Substance Advanced Search Fields

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Note: For the Substances search type with a term in the field, the Molecular Formula Advanced Search Field with the AND operator is present by default.


To search using a different Advanced Search Field:

  1. Select the operator:
    • AND
    • OR
    • NOT


      • You may have up to 50 Advanced Search Fields (49 if also using the main search field).
      • Advanced Search Fields and their operators are processed in OR/AND/NOT order. See Substance Advanced Search Examples.
      • If you are using Advanced Search fields only, the first field you select will not have an operator.


  2. Select and enter the value or property. Multiple entries must be delimited by a comma, space, or semicolon. Note: You may enter up to 1000 characters including spaces, commas, or semicolons.


    • Molecular Formula
      Note: Use dot-disconnection (e.g., C22H26CuN2O5.C2H3N) to indicate individual components when searching for salts and other multicomponent substances.
    • CAS Registry Number:
      • Substance RN
      • Component RN
    • Chemical Identifier:
      • Chemical Name
      • InChI Key
    • Document Identifier
    • Patent Identifier
    • Experimental Spectra:
      • Proton NMR
      • Carbon-13 NMR
      • Nitrogen-15 NMR
      • Fluorine-19 NMR
      • Phosphorous-31 NMR
    • Biological:
      • Bioconcentration Factor
      • Median Lethal Dose (mg/kg)
    • Chemical Properties:
      • Koc
      • logD
      • logP
      • Mass Intrinsic Solubility (g/L)
      • Mass Solubility (g/L)
      • Molar Intrinsic Solubility (g/L)
      • Molar Solubility (g/L)
      • Molecular Weight
      • pKa
      • Vapor Pressure (Torr)
    • Density:
      • Density (g/cm3)
      • Molar Volume (cm3/mol)
    • Electrical:
      • Electric Conductance (S)
      • Electric Conductivity (S/cm)
      • Electric Resistance (ohm)
      • Electric Resistivity (ohm*cm)
    • Lipinski:
      • Freely Rotatable Bonds
      • Hydrogen Acceptors
      • Hydrogen Donor/Acceptor Sum
      • Hydrogen Donors
    • Magnetic: Magnetic Moment (muB)
    • Mechanical: Tensile Strength (Mpa)
    • Optical and Scattering:
      • Optical Rotatory Power (degrees)
      • Refractive Index
    • Structure Related: Polar Surface Area (Ų)
    • Thermal:
      • Boiling Point (°C)
      • Enthalpy of Vaporization (kj/mol)
      • Flash Point (°C)
      • Glass Transition Temperature (°C)
      • Melting Point (°C)

        Note: Check the Search key property values only box (when available for a property) to focus the property query only on data found in a substance's Key Physical Properties box or preferred substance values.


You may change the order of the operators/fields by clicking the Drag icon (SFn-DragFieldIcon.png) and moving the field. If there is only one operator, it will not move.




Substance Advanced Search Examples

Example 1


This query is processed as: (Flash Point (°C): >219 OR Melting Point (°C): <220) AND Median Lethal Dose (mg/kg): >160

This means each substance must have a Median Lethal Dose (mg/kg) of >160


a Flash Point (°C) of >219


a Melting Point (°C) of <220

This query could return substances that have:

  • Median Lethal Dose (mg/kg): >160 and Flash Point (°C): >219
  • Median Lethal Dose (mg/kg): >160 and Melting Point (°C): <220
  • Median Lethal Dose (mg/kg): >160, Flash Point (°C): >219, and Melting Point (°C): <220

Example 2


This query is processed as: Flash Point (°C): >219 NOT (Melting Point (°C): <220 AND Median Lethal Dose (mg/kg): >160)

This means each substance must have a Flash Point (°C) of >219


NOT have a Melting Point (°C) of <220


NOT have a Median Lethal Dose (mg/kg) of >160

This query could return substances that have:

  • Flash Point >219 AND Median Lethal Dose of >160 (as long as it does not contain a Melting Point of <220)
  • Flash Point >219 AND Melting Point of <220 (as long as it does not contain a Median Lethal Dose of >160)

Example 3


This query is processed as: ((C30H50O AND 426.72) NOT (-18.0 OR 2.5 OR -8.06)) AND Structure

This means each substance must have a relationship to the structure searched


Each substance must have a Molecular Formula of C30H50O AND a Molecular Weight of 426.72


NOT have an Optical Rotatory Power of -18.0 OR 2.5 OR -8.06