Features
ChemDoodle Mobile is a calculator for drawn organic structures. There are four main windows: Draw, Calculate, Spectra and Help. The Draw window shows a typical ChemDoodle sketcher, where you can draw and store your structures. 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
- Molecular Formula
- Molecular Mass
- Monoisotopic Mass
- Degree of Unsaturation
- Hydrogen Bond Acceptors
- Hydrogen Bond Donors
- Average Molecular Polarizability
- Molar Refractivity
- Polar Surface Area
- logP
Spectra
- Mass Parent Peak (Isotopic Distribution)
- 1H NMR
- 13C NMR












