Molecule

ID:91045

General Information

Structure

Molecular Formula

C₁₉H₃₇BrO₂

Molecular Mass

377.39988

Exact Mass

376.19769242

Charge

0

InChI

InChI=1S/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)

InChIKey

FLMPHTLDVWMADF-UHFFFAOYSA-N

Canonic Smiles

BrCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric Smiles

BrCCCCCCCCCCCCCCCCCCC(=O)O

Calculated Properties

JChem

Acid pKa

4.9520197

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

7.037892

LogD (pH = 7.4)

5.2787566

Log P

7.6936975

Molar Refractivity

98.8498

Polarizability

38.829674

Polar Surface Area

37.3

Rotatable Bonds

18

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