One unified calculator

Every chemistry property you need — in one click

MW, logP, TPSA, Lipinski's Rule of Five, ESOL solubility, stability score, and SMARTS-based toxicity screen. Real RDKit running server-side — not guesswork.

Compound name (English)

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Enter a compound on the left to view properties here.

Scientific basis: Properties come from RDKit (Descriptors.MolWt, Crippen.MolLogP, rdMolDescriptors.CalcTPSA). Solubility uses the ESOL model (Delaney 2004, J. Chem. Inf. Model. 44 (3)). Toxicity screening uses 10 SMARTS structural alerts (aldehydes, epoxides, mercury, isocyanates, etc.). Every prediction is auditable.