Chem Indole | Cheminformatics
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2D Structure

Indole


  • SKU Code: CH138376
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Chemical Name - Indole
Mol Weight - 117.151
Smiles - c1c[nH]c2c1cccc2
Property Name Property Value
Mol NameIndole
Molweight117.151
Monoisotopic Mass117.057849
Clogp1.699
Clogs-2.141
H Acceptors1
H Donors1
Total Surface Area97.43
Relative Psa0.14359
Polar Surface Area15.79
Druglikeness-0.69049
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.55556
Molecular Complexity0.6993
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Aromatic Nitrogens1
Smilesc1c[nH]c2c1cccc2
InChIKeyInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChISIKJAQJRHWYJAI-UHFFFAOYSA-N

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