Molecule

ID:111823

General Information

Structure

MolImage

Molecular Formula

C₁₇H₃₅Br

Molecular Mass

319.3638

Exact Mass

318.19221312

Charge

0

InChI

InChI=1S/C17H35Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h17H,3-16H2,1-2H3

InChIKey

VHNPILDWLZOLCU-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCCCC(CBr)C

Isomeric Smiles

CCCCCCCCCCCCCCC(C)CBr

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

8.045206

LogD (pH = 7.4)

8.045206

Log P

8.045206

Molar Refractivity

87.853

Polarizability

34.589424

Polar Surface Area

0.0

Rotatable Bonds

14

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity