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  • 2d structure of pentane

    MOLINSTINCTS ID

    0000-ukiu

    Formula C5H12
    IUPAC Name pentane
    SMILES CCCCC
    InChI InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
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  • 2d structure of (2R)-pentan-2-ol

    MOLINSTINCTS ID

    0000-krdh

    Formula C5H12O
    IUPAC Name (2R)-pentan-2-ol
    SMILES CCCC(C)O
    InChI InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
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  • 2d structure of heptan-1-ol

    MOLINSTINCTS ID

    0000-2dco

    Formula C7H16O
    IUPAC Name heptan-1-ol
    SMILES CCCCCCCO
    InChI InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
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  • 2d structure of 2-methylbutane

    MOLINSTINCTS ID

    0001-0cvv

    Formula C5H12
    IUPAC Name 2-methylbutane
    SMILES CCC(C)C
    InChI InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
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  • 2d structure of 1,2-dihydroacenaphthylene

    MOLINSTINCTS ID

    0000-6lrh

    Formula C12H10
    IUPAC Name 1,2-dihydroacenaphthylene
    SMILES C1Cc2cccc3cccc1c23
    InChI InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
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  • 2d structure of butan-1-amine

    MOLINSTINCTS ID

    0000-fb6q

    Formula C4H11N
    IUPAC Name butan-1-amine
    SMILES CCCCN
    InChI InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
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  • 2d structure of furan

    MOLINSTINCTS ID

    0001-eju6

    Formula C4H4O
    IUPAC Name furan
    SMILES c1ccoc1
    InChI InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H
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  • 2d structure of (2E)-but-2-enal

    MOLINSTINCTS ID

    0000-qkb0

    Formula C4H6O
    IUPAC Name (2E)-but-2-enal
    SMILES CC=CC=O
    InChI InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
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  • 2d structure of cyclohexa-1,3-diene

    MOLINSTINCTS ID

    0001-ixa8

    Formula C6H8
    IUPAC Name cyclohexa-1,3-diene
    SMILES C1CC=CC=C1
    InChI InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
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  • 2d structure of decahydronaphthalene

    MOLINSTINCTS ID

    0000-t0ni

    Formula C10H18
    IUPAC Name decahydronaphthalene
    SMILES C2CCC1CCCCC1C2
    InChI InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+
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  • 2d structure of thiophene

    MOLINSTINCTS ID

    0001-f6f0

    Formula C4H4S
    IUPAC Name thiophene
    SMILES c1ccsc1
    InChI InChI=1/C4H4S/c1-2-4-5-3-1/h1-4H
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  • 2d structure of pyridine

    MOLINSTINCTS ID

    0000-kd0f

    Formula C5H5N
    IUPAC Name pyridine
    SMILES c1ccncc1
    InChI InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H
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  • 2d structure of 2-nitropropane

    MOLINSTINCTS ID

    0001-iwj8

    Formula C3H7NO2
    IUPAC Name 2-nitropropane
    SMILES CC(C)[N+]([O-])=O
    InChI InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
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  • 2d structure of 1,4-dioxane

    MOLINSTINCTS ID

    0001-28h2

    Formula C4H8O2
    IUPAC Name 1,4-dioxane
    SMILES C1COCCO1
    InChI InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
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  • 2d structure of 1,2-oxazole

    MOLINSTINCTS ID

    0001-iwdz

    Formula C3H3NO
    IUPAC Name 1,2-oxazole
    SMILES c1cnoc1
    InChI InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H
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  • 2d structure of nitrobenzene

    MOLINSTINCTS ID

    0001-ix7x

    Formula C6H5NO2
    IUPAC Name nitrobenzene
    SMILES [O-][N+](=O)c1ccccc1
    InChI InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
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  • 2d structure of N,N-dimethylformamide

    MOLINSTINCTS ID

    0001-gn1s

    Formula C3H7NO
    IUPAC Name N,N-dimethylformamide
    SMILES CN(C)C=O
    InChI InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3
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  • 2d structure of 4-methylpyridine

    MOLINSTINCTS ID

    0000-a6g5

    Formula C6H7N
    IUPAC Name 4-methylpyridine
    SMILES Cc1ccncc1
    InChI InChI=1/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
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  • 2d structure of benzonitrile

    MOLINSTINCTS ID

    0001-iwz9

    Formula C7H5N
    IUPAC Name benzonitrile
    SMILES N#Cc1ccccc1
    InChI InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
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  • 2d structure of 1-phenylethan-1-one

    MOLINSTINCTS ID

    0000-mvb1

    Formula C8H8O
    IUPAC Name 1-phenylethan-1-one
    SMILES CC(=O)c1ccccc1
    InChI InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
    View our data

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