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:
- Select the operator:
- AND
- OR
- NOT
Notes:- 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.
- 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.
- Molecular Formula
You may change the order of the operators/fields by clicking the Drag icon () 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
AND
a Flash Point (°C) of >219
OR
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
AND
NOT have a Melting Point (°C) of <220
AND
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
AND
Each substance must have a Molecular Formula of C30H50O AND a Molecular Weight of 426.72
AND
NOT have an Optical Rotatory Power of -18.0 OR 2.5 OR -8.06