CAS COVID-19 Dataset Properties

Data Included in the CAS COVID-19 Antiviral Candidate Compounds Dataset

The dataset is in SD file format (.sdf) and contains connection tables for nearly 50,000 chemical substances, along with related metadata such as CAS Registry Number® and physical properties for each substance.

Data Description
CAS Registry Number® Assigned to a substance when it enters the CAS REGISTRY database.
Molecular Weight  Experimental and predicted. Calculated by ACD software.
Melting Point °C. Contains both experimental and predicted values, with a preference for experimental.
Boiling Point °C. Contains both experimental and predicted values, with a preference for experimental.
Density g/cm3
pKa -log10Ka. Predicted, including most acidic temperature.

 

COVID-19 Dataset Download page

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