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Compound database

Molecules

48,933 compounds with structures, identifiers and physical data. Search by name, CAS number, formula or SMILES.

Aryl halide10,595 Ether8,669 Carboxylic acid7,813 Primary amine6,333 Alcohol6,120 Ester5,569 Alkyl halide4,988 Alkene4,968 Phenol4,106 Ketone3,626 Tertiary amine3,199 Secondary amine2,895

Show all 52

Amide2,630 Nitro2,387 Nitrile1,808 Carbamate1,659 Acetal1,501 Aldehyde1,459 Sulfide1,238 Lactam1,123 Sulfonic acid832 Boronic acid678 Sulfonamide568 Thiol556 Lactone527 Alkyne443 Phosphate437 Acyl halide426 Quaternary ammonium365 Guanidine336 Sulfone326 Epoxide299 Boronic ester289 Silyl ether266 Oxime251 Imine237 Phosphine236 Vinyl halide231 Azo227 Hydrazone215 Isothiocyanate193 Amidine191 Acid anhydride185 Phosphonate176 Isocyanate165 Disulfide160 Sulfonate ester141 Carbonate137 Urea136 Sulfoxide64 Peroxide62 Azide55

Carbonyl fluoride353-50-4 Carmustine154-93-8 Cellulose acetate phthalate9004-38-0 Chlorbenside103-17-3 Chloropentamminecobalt chloride13859-51-3 Chlorotrifluoromethane75-72-9 Chrysophanol481-74-3 Creatine57-00-1 Cyhexatin13121-70-5 Davicil13108-52-6 Decyl glucoside58846-77-8 Delta-valerolactone542-28-9 Deoxyadenosine958-09-8 Dexamethasone sodium phosphate55203-24-2 Diethyl azodicarboxylate1972-28-7 Diglycidyl resorcinol ether101-90-6 Dihydrocaffeic acid1078-61-1 Diisobutyl phthalate84-69-5 Diltiazem hydrochloride33286-22-5 Dimethyl disulfide624-92-0

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