Features
Draw chemical structures. View 3D. Generate IUPAC names. Calculate properties. Simulate NMR. ChemDoodle Mobile!
ChemDoodle Mobile is a calculator for drawn organic structures. There are five main windows: Draw, 3D, Calculate, Spectra and Help. The Draw window shows a typical ChemDoodle sketcher, where you can draw and store your structures. The 3D window allows you to view the drawn molecule in 3D. The Calculate page calculates properties and the Spectra page simulates NMR spectra. All spectra are interactive. The Help page contains a thorough help guide.
Calculations
- IUPAC Name
- Molecular Formula
- Empirical Formula
- Molecular Mass
- Monoisotopic Mass
- Degree of Unsaturation
- Hydrogen Bond Acceptors
- Hydrogen Bond Donors
- Rotatable Bonds
- Total Number of Electrons
- Average Molecular Polarizability
- Molar Refractivity
- Polar Surface Area
- van der Waals Volume
- logP
- Complexity
Spectra
- Mass Parent Peak (Isotopic Distribution)
- 1H NMR
- 13C NMR











