1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethanone|1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethanone|1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethan-1-one

General Information

Structure

Molecular Formula

C₁₁H₉BrClNO

Molecular Mass

286.55226

Exact Mass

284.95560359

Charge

InChI

InChI=1S/C11H9BrClNO/c1-6-11(10(15)5-13)8-4-7(12)2-3-9(8)14-6/h2-4,14H,5H2,1H3

InChIKey

UEKKCSKGZHODTR-UHFFFAOYSA-N

Canonic Smiles

Cc1c(C(=O)CCl)c2c([nH]1)ccc(c2)Br

Isomeric Smiles

c1(c([nH]c2c1cc(cc2)Br)C)C(=O)CCl

Calculated Properties

JChem

Acid pKa

13.346409

H Acceptors

H Donor

LogD (pH = 5.5)

3.135313

LogD (pH = 7.4)

3.1353126

Log P

3.135313

Molar Refractivity

65.073

Polarizability

25.621239

Polar Surface Area

32.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethanone

Synonyms

1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethanone

IUPAC name

1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethan-1-one

Names and Identifiers

Registration numbers

PubChem SID

162216692

PubChem CID

936157

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122339