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.

Blockchain In Chemical Industry

Blockchain offers numerous potential benefits to the chemical industry by increasing traceability, safety and security, and improving compliance while lowering transaction costs.

Digital currencies based on the blockchain technology that started with cryptocurrency have gained high interest in various sectors. They present ways of digitally transferring value without the usual necessary intermediaries, like , clearinghouses, banks  or other service providers. For example, cutting out the intermediaries in money transfer operations alone enables double-digit cost savings in processing fees.

With respect to the chemical industry consider four main blockchain features that can be combined to enable new functionality:

• Distributed Ledger
• Trustlessness
• Tokenization of value
• Smart Contracts

Simazine - Chemryt

Simazine is a selective pre-emergent herbicides used to control a wide variety of annual and perennial grasses and broadleaf weeds.Simazine has also been used to control weeds on turfgrass and as a non-selective form of weed control when used at higher rates on industrial sites.

When bermudagrass is mostly dormant, you can apply non-selective herbicides like glyphosate or glufosinate . 

Simazine or flumioxazin will also offer post control of annual bluegrass

simazine and all other soil active herbicides are watered in within 48 hours of application in a way that does not cause movement off site or past target zone in soil.

Chemical Name - Simazine
Mol Weight - 201.66
Smiles - CCNc1nc(Cl)nc(NCC)n1

Chemical Simazine Cheminformatics

Propanil -

Propanil is a post-emergence herbicide currently being assessed for safety and efficiacy by the EU. It is moderately soluble in water and has a low volatility. It is not expected to leach to groundwater and is not usually persistent in soil or water systems. It is moderately toxic to mammals and no evidence of serious human health impact have been identified. It is, however, moderately toxic to most fauna and flora.A

Propanil Cheminformatics

Trimethyl Chlorosilane Cheminformatics