Chlorothalonil

Chlorothalonil is an aromatic halogen compound, a member of the chloronitrile chemical family. It is a grayish to colorless crystalline solid which is odorless to slightly pungent. It is non-corrosive and stable in moderately alkaline or acidic aqueous solutions. Chlorothalonil's molecular weight is 265.89 g/mol. At high temperatures, this pesticide may decompose to emit hydrochloric acid.

Mol Name Chlorothalonil

Molweight 265.914

Monoisotopic Mass 263.881556

Clogp 3.7548

Clogs -6.106

H Acceptors 2

Total Surface Area 178.36

Relative Psa 0.15205

Polar Surface Area 47.58

Druglikeness -5.895

Chlorothalonil Cheminformatics

Metribuzin Cheminformatics

Tricyclazole Cheminformatics

Acephate Cheminformatics

Chemoinformatics databases

Cheminformatics can be broadly defined as the field of solving chemical problems with computers. 

In contrast to classic computational chemistry, the emphasis is on practical questions. 

How can one represent molecules computationally, how can one compare them and predict their effects in biological systems?

Chemoinformatic methods are widely used in chemical industry, particulary in pharmaceutical and biotechnology research. 

The techniques are also behind the terms "computer-aided molecular design" and "drug design" where one is often looking for molecules with specific biological properties. 

Also beyond pharmaceutical research computational chemistry and chemoinformatics are widely applied, for example for the development of novel biotechnological processes and products.

Chemoinformatics databases gather resources on biochemically active compounds and their interactions

• Small molecule databases 
• Natural compound databases 
• Natural product databases
• Drug-drug interaction databases 
• Secondary metabolite biosynthetic databases
• Chemical-transporter interaction databases
• ADME databases 
• Bioactivity databases
• Adverse drug reactions databases
• Compound toxicity databases 
• Drug pathways databases
• MicroRNA pharmacogenomic databases 
• miRNA pharmacogenomic databases
• Toxicogenomics databases
• Pharmacogenetics databases
• Drug resistance databases
• Clinical trial databases
• RNA-ligand interactions databases
• Drug metabolism databases
• Drug sensitivity databases
• Drug repositioning databases
• Chemical structure databases
• Molecular simulation databases
• Organic chemistry reactions databases

How technology impact chemical industry?

Technology changing chemical industry

The latest technology is already changing the chemical industry. USD Computer modelling and big data, 

even modern theory on industrial processes are having an impact. 

how is technology being used by chemical manufacturing companies.

1. Cloud Storage 

Significantly, cloud data storage enables massive cost savings and increased efficiencies and customer satisfaction.

2. Maintenance Analytics

By applying advanced analytics chemical manufacturers have begun to use their data to get the most out of their assets. 

Predictive-maintenance systems can avoid problems that would remain unseen when using traditional techniques.