Structure-first chemical reasoning

Let the molecule become the catalogue.

Build a structure, select a detected group and inspect the chemistry on the molecule.

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Canonical SMILES—

Detected group types—

Detected group instances—

RendererRDKit.js

Structure map

RDKit.js loads the molecular depiction here.

electron-rich / δ− tendency electron-poor / electrophilic tendency π-delocalized / conjugated region H-bond donor-capable heteroatom −I inductive withdrawal path +M mesomeric donation path Qualitative structural map; not orbital phase, DFT density or ESP.

Dark-background RDKit depiction.Click a detected group to highlight it.Electronic map is anchored to detected atoms and functional-group rules.

Selected chemistry

structureSMARTS rulechemistry note

Citric acid

Build the molecule, then select a functional-group card to connect the highlighted structure to orbital character and reaction families.

Reaction families are prompts for chemical reasoning, not predictions under unspecified conditions.

Detected in this molecule

Reactive and interaction-relevant groups

SMARTS-based group detection.

Browse all functional-group rules

Knowledge layer

Functional-group catalogue

Data source: /data/functional_groups.json