Analysis
Predict ¹H and ¹³C NMR
NMR solving guide
Mass spectrum: m/z, isotopes, MS/MS
3D view
NMR solvent and impurity peaks
Analysis (elemental, m/z, LogS)…
Look up name and CAS number
Find in databases
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Exports use the selection, or the whole page if nothing is selected. PNGs are 600 dpi at true size; SVG and PDF are vector, and PDF can include every page. Exported PNGs and SVGs reopen here for editing.
Shortcuts
hover + N O S… Change the atom under the cursor (L = Cl, B = Br)
hover + + / − Add charge
hover bond + 1 2 3 Set bond order
Click bond Single tool cycles single, double, triple
Drag empty Select tool draws a selection box
L Lasso: drag a freehand loop to select (V returns to the box)
Shift Add to selection
Alt + drag Draw without angle snapping
Space + drag Pan (or two fingers)
Ctrl + wheel Zoom
Ctrl C / V / D Copy image, paste, duplicate
Ctrl S Save the project (Chrome and Edge save back to the same file)
Ctrl O Open a project, image or chemistry file
Ctrl Shift S Save as: every export format
Ctrl Shift C Copy SMILES of the selection (or the whole drawing)
Right-click Copy SMILES or molfile, look up name and CAS number
Delete Remove selection
Ctrl G / Ctrl Shift G Group, ungroup (a group selects, moves and aligns as one)
Arrow keys Nudge selection 1 pt (Shift: 5 pt); one undo step per run
[ ] Rotate selection 15°
Align Line up structures by edge or center, or space them evenly
In text H2SO4 subscripts automatically; ^ makes superscript (Fe^3+)
Double-click atom Edit its label (press and hold on touch screens)
Shift + Enter New line while editing text
Double-click tab Rename a page
pKa tool Click an atom: acidity of its H, or pKaH if it is a base
BDE tool Click a bond, or an atom to get its X–H bond energy