Molecular Visualization

About the Molecule Viewer

Our molecule viewer generates 2D structural diagrams and calculates key molecular properties including molecular formula, molecular weight, SMILES notation, LogP (partition coefficient), and counts of atoms, bonds, and rings.

Search by common name (e.g., Caffeine, Aspirin, Glucose) or enter SMILES notation directly for any organic or inorganic molecule.

Molecular Properties Explained

• Molecular Formula: Shows the types and numbers of atoms present in the molecule (e.g., C8H10N4O2 for caffeine).
• Molecular Weight: The sum of all atomic masses in the molecule, measured in g/mol. Essential for concentration and dosage calculations.
• SMILES Notation: A text-based representation of molecular structure. SMILES (Simplified Molecular Input Line Entry System) is widely used in cheminformatics databases and software.
• LogP: The partition coefficient measures how a molecule distributes between water and octanol. Higher LogP values indicate greater lipophilicity (fat solubility), which is important for predicting drug absorption and bioavailability.
• Atom, Bond, and Ring Counts: Structural descriptors that help characterize molecular complexity and are used in drug-likeness assessments.

Using SMILES Notation

SMILES is a compact way to describe molecular structures as text strings. Atoms are represented by their chemical symbols, bonds by special characters (= for double, # for triple), and ring closures by matching digits. For example, benzene is written as c1ccccc1 and ethanol as CCO.

You can paste SMILES strings from databases like PubChem, ChEMBL, or DrugBank directly into the search field to visualize any molecule and calculate its properties.