- Free basic physicochemical properties and IUPAC naming capabilities for structures containing 50 atoms1 or less
- Advanced physicochemical properties (absolve, boiling point/vapour pressure, adsorption coefficient/BCF, logP, logD, pKa, solubility, and more)
- ADME characteristics (bioavailability, absorption, active transport, plasma binding, Vd, Pgp inhibitors, and Pgp substrates
- Toxicity hazards (AMES test, genotoxicity, aquatic toxicity, health effects, endocrine disruption, MRDD)
- NMR spectra and chemical shifts for 13C
- Systematic chemical nomenclature and structure generation (IUPAC, Index names)
1From a predefined list of atoms, excluding metals.