Cheminformatics suite
Advanced chemical analytics,
in your browser.
Molecular analysis, visualization, and data processing — no install, no signup.
Database
Featured molecules
C20H26N2O
· 83-74-9
C12H17N2O4P
· 520-52-5
C11H13NO3
· 186028-79-5
C11H15NO2
· 42542-10-9
C187H291N45O59
· 910463-68-2
C8H10N4O2
· 58-08-2
C9H8O4
· 50-78-2
Synthesis
Featured reactions
70–88 % yield
· 6–24 h at 50–80 °C after in-situ alkoxide generation
70–88 % yield
· 4–24 h at RT after 0–30 °C base addition
72–88 % yield
· 1–4 h at RT after 0 °C addition
75–92 % yield
· 1–2 h at RT after 0 °C addition
70–85 % yield
· 2–4 h at RT after 0–10 °C addition
70–88 % yield
· 4–12 h at RT after −78 °C ylide formation
70–90 % yield
· 4–12 h (commonly overnight) at 0 °C → room temperature
80–95 % yield
· 1–4 h at 20–25 °C in toluene
70–85 % yield
· 4–24 h at 80–90 °C (reflux)
60–75 % yield
· 5–14 days at RT in the dark
Tools
Cheminformatics tools
Calculators
Compute the numbers you need.
Molar Mass Calculator
Calculate molecular weights from any chemical formula. Live element breakdown with percent composition.
Open →pH Calculator
Strong / weak acids, bases, and buffers. Henderson-Hasselbalch and the full Ka/Kb equilibrium walkthrough.
Open →Stoichiometry Calculator
Limiting reagents, theoretical yields, and reaction quantities — with full unit propagation.
Open →Vapor Pressure Calculator
Antoine equation with smart parameter lookup. Built for distillation design and phase-equilibrium work.
Open →Reaction Scale Calculator
Anchor on any reagent's amount; everything else scales from stoichiometry + density. 10 curated reactions ready to run.
Open →Fractional Distillation
Predict which fractions you'll actually collect — Antoine bp + Fenske + azeotrope DB + extraction hints when distillation will struggle.
Open →P–T Nomograph
Compound-aware bp at any pressure. Antoine when available; Sigma-Lange fallback otherwise — replaces Sigma's broken nomograph.
Open →Analysis
Predict and evaluate, not just calculate.
NMR Predictor
Predict 1H and 13C NMR spectra from structure. Chemical shifts, coupling patterns, and integrations.
Open →Equation Balancer
Balance any reaction — organics, redox, polyatomic ions — with step-by-step verification.
Open →Drug-Likeness
Lipinski Ro5, Veber, lead-likeness — MW, LogP, HBD, HBA, TPSA from a SMILES string.
Open →Signum
NMR / IR / UV-Vis spectral workbench. Peak picking, integration, baseline correction in your browser.
Open →Editors & converters
Sketch, view, and translate structures.
Covalent
Free, fast in-browser molecular editor. Bonds, rings, element selection, export — a real ChemDraw alternative.
Open →SMILES → Structure
Visualize SMILES as 2D structures with proper bond geometry, atom positions, and stereochemistry.
Open →Spectroscopy File Converter
JCAMP-DX, CSV, and the other common spectroscopy formats — round-tripped in your browser, no upload.
Open →Pressure Unit Converter
Convert across Pa, kPa, bar, atm, psi, mmHg, torr — with sane defaults for engineering work.
Open →