Kernel-based calculations can take up to a minute per molecule. In the future, look for a batch submission option with subsequent e-mail results.
Details on these property predictions methods can be found in the respective journal article referenced in the Publications section.

SMILES Sketch Draw structure
Description Reliability Source / Reference
InChi IUPAC
InChi auxilliary info IUPAC
Molecular Formula OpenEye OEChem
Systematic name OpenEye OEChem
Molecular weight (daltons) Exact OpenEye OEChem
Chiral atoms Exact OpenEye OEChem
H-bond acceptors Exact OpenEye OEChem
H-bond donors Exact OpenEye OEChem
Atoms Exact OpenEye OEChem
Carbons Exact OpenEye OEChem
Hydrogens Exact OpenEye OEChem
Heavy atoms Exact OpenEye OEChem
Nitrogens Exact OpenEye OEChem
Oxygens Exact OpenEye OEChem
Chiral bonds Exact OpenEye OEChem
Bonds Exact OpenEye OEChem
Double bonds Exact OpenEye OEChem
Rotatable bonds Exact OpenEye OEChem
Single bonds Exact OpenEye OEChem
Rigid segments Exact OpenEye OEChem
Enthalpy (heat) of formation Prediction
KLogP: Kernel-based octanol / water partition coefficient Prediction Kernel Regression
KMelt: Kernel-based melting point Prediction Kernel Regression
KSol: Kernel-based aqueous solubility Prediction Kernel Regression
ZAP Area Prediction OpenEye ZAP
ZAP Coulombic Prediction OpenEye ZAP
ZAP Solvation Prediction OpenEye ZAP
ZAP Total Prediction OpenEye ZAP
Results
Molecule
Information