Molecule

ID:107892

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃BrO₂
Molecular Mass
209.08092
Exact Mass
208.00989166
Charge
0
InChI
InChI=1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChIKey
JIHJLQWUVZUKCH-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCOC(=O)C
Isomeric Smiles
CC(=O)OCCCCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7944245
LogD (pH = 7.4)
1.7944245
Log P
1.7944245
Molar Refractivity
43.8506
Polarizability
17.213797
Polar Surface Area
26.3
Rotatable Bonds
6
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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