CHEMINFORMATICS SUITE

Advanced Chemical Analytics

Powerful tools for molecular analysis, visualization, and data processing

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Cheminformatics Tools

Spectroscopy File Converter

Convert spectral data formats

Transform spectroscopy files (.spc, .jdx) to analysis-ready formats like CSV and Excel for seamless integration with your workflow.

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SMILES To Structure Converter

Visualize molecular structures

Transform SMILES notation into interactive 2D/3D molecular visualizations with detailed structural information and export capabilities.

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Molar Mass Calculator

Calculate compound masses

Quickly determine molar mass from chemical formulas with detailed elemental composition and isotopic distribution analysis.

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NMR Spectrum Predictor

Predict NMR spectra

Predict 1H and 13C NMR spectra from chemical structures using SMILES notation with detailed peak assignments and visualization.

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Pressure Unit Converter

Transform pressure measurements

Convert between Pascal, bar, atm, mmHg, PSI and other pressure units with high precision for laboratory and industrial applications.

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Stoichiometry Calculator

Calculate chemical reactions

Calculate acid-base neutralizations, limiting reagents, reaction yields, and solution concentrations with this comprehensive stoichiometry calculator.

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Vapor Pressure Calculator

Analyze vapor pressure relationships

Examine pressure-temperature relationships for chemicals with interactive nomographs and exportable data for your research needs.

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Featured Molecules

Discover interesting chemical compounds making headlines

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Trending

Semaglutide

910463-68-2

The active ingredient in Ozempic and Wegovy that's revolutionizing diabetes treatment and weight management by mimicking a hormone that regulates appetite and insulin secretion.

No structure available

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Trending

Tirzepatide

2023788-19-2

The first dual GIP/GLP-1 receptor agonist marketed as Mounjaro and Zepbound, showing even greater weight loss results than semaglutide in clinical trials.

No structure available

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Trending

Nirmatrelvir

2628280-40-8

The primary antiviral component in Paxlovid that inhibits the SARS-CoV-2 main protease, significantly reducing risk of hospitalization and death from COVID-19.

No structure available

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Trending

MDMA

42542-10-9

C11H15NO2

Currently in Phase 3 clinical trials for treating PTSD, this molecule is changing perceptions of psychedelic compounds as potential breakthrough therapies for mental health conditions.

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Compounds

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