Indole

Synonyms: indole, "1H-Indole", "Indol", "2,3-Benzopyrrole", "1-Benzazole", "Ketole", "1-Azaindene", "Benzopyrrole", "2,3-Benzopyrole", "Benzo[b]pyrrole", "1H-Benzo[b]pyrrole"

Source: Indole is a metabolite synthesized and secreted by E. coli that regulates biofilm formation.

Identifiers:

IUPAC Name: 1H-indole
CAS Number: 120-72-9
PubChem ID: 798
InChiKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CN2

Structural Properties:

Molecular Formula: C₈H₇N
Molecular Weight: 117,150

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 0
Number of atoms different from hydrogen: 9

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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