Caffeine is a chemical compound registered under number CAS 58-08-2, with the molecular formula C8H10N4O2, and a molar mass of 194.19 g/mol.
The molecule contains 25 atoms connected by 26 chemical bonds. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.
In terms of physicochemical properties, the partition coefficient logP = -0.07 (negative value, a hydrophilic compound), polar surface area PSA = 58.44 Ų, 0 donors and 6 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.
Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.
