Molecular Property Calculator
Calculate molecular weight, formula, logP, TPSA, hydrogen bond donors and acceptors, rotatable bonds, molar refractivity, canonical SMILES, InChI and InChIKey.
Multiple molecules are allowed — one per line or a multi-record SDF.
Descriptors provided
- Molecular weight (MW) — average mass in g/mol.
- Formula — molecular formula in Hill notation.
- logP — octanol/water partition coefficient, a lipophilicity measure.
- TPSA — topological polar surface area, correlated with membrane permeability.
- HBD / HBA — hydrogen bond donors and acceptors (Lipinski's rule of five).
- Rotatable bonds — molecular flexibility indicator.
- MR — molar refractivity.
- InChI / InChIKey — standard identifiers for database lookup.
Drug-likeness
These are the descriptors used by Lipinski's rule of five: MW ≤ 500, logP ≤ 5, HBD ≤ 5, HBA ≤ 10, plus TPSA ≤ 140 Ų and rotatable bonds ≤ 10 as common extensions. Use the table above to check whether a compound is likely to be orally active.