Molecule

ID:10718

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇BrO₂
Molecular Mass
237.13408
Exact Mass
236.04119178
Charge
0
InChI
InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey
OOBFNDGMAGSNKA-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCC(=O)OCC
Isomeric Smiles
BrCCCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8615754
LogD (pH = 7.4)
2.8615754
Log P
2.8615754
Molar Refractivity
53.1555
Polarizability
20.824345
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
true
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
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