Molecule

ID:64976

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrO₂
Molecular Mass
207.06504
Exact Mass
205.99424159
Charge
0
InChI
InChI=1S/C7H11BrO2/c8-6-2-1-3-7(6)9-4-5-10-7/h6H,1-5H2
InChIKey
DXVRAPHFXNUTFE-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCC21OCCO2
Isomeric Smiles
C1OC2(OC1)C(CCC2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9976509
LogD (pH = 7.4)
1.9976509
Log P
1.9976509
Molar Refractivity
41.1816
Polarizability
16.436947
Polar Surface Area
18.46
Rotatable Bonds
0
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
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References
Bioactivity
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