K
Kirill Blinov
أكثر من Kirill Blinov
Trivial Names
Find organic compound by its name.
Contains about 188K compounds from different sources. Most compounds have links to internet databases: PubChem, EPA CompTox, HMDB and ChEBI.تركيب .
Natural Products
Find natural product by ¹³C NMR chemical shifts and monoisotopic mass (m/z of molecular ion).
Instant search in a database of about 2.4 million natural products, natural product derivatives and “natural product-like” compounds.
Most compounds have links to internet databases: PubChem, EPA CompTox,تركيب .
m/z EPA CompTox
Find chemical structure by exact mass (m/z) in EPA CompTox structures.
Instant search in a database of more than 700,000 structures.تركيب .
Molecular Formula Generator
Generates full list of molecular formulae based on molecular mass (m/z value) and elemental composition.
Specify m/z value, mass accuracy, possible element composition and double bonds equivalent;
Generate complete list of molecular formulae (only first 1000 displayed);
Share list of molecula
تركيب .
Find Molecule
Find chemical structure by ¹³C NMR chemical shifts and monoisotopic mass (m/z of molecular ion).
Instant search in a database of about 33 million known structures extracted from PubChem compounds database. Each compound has link to corresponding PubChem record.تركيب .
Orange NMR
App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).
The number of heavy atoms in structure to predict for free is restricted to 12 atoms. This restriction canتركيب .
Molecule
Simple modern chemical structure editor. Allow to draw and share chemical structure.
MF, MW, Monoisotopic Mass and Elemental Composition calculated interactively during drawing.تركيب .
CompTox Mobile
Find chemical structure instantly by exact mass (m/z), ¹³C NMR chemical shifts, structure name or CAS Registry Number in a database of about 720,000 EPA CompTox structures.
The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemiتركيب .
m/z
Find chemical structure by exact mass (m/z).
Instant search in a database of known structures with exact mass less than 340 Da (about 35 million) created from PubChem compounds database.تركيب .
1H NMR
App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset. - Instantly re-calculate the spectrum while changing the structure; - Email PDF report; - Zoom in spectrum;تركيب .
Orange NMR
App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).
The number of heavy atoms in structure to predict for free is restricted to 12 atoms. This restriction canتركيب .
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