Molecule

ID:89812

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrO₂
Molecular Mass
167.00118
Exact Mass
165.96294146
Charge
0
InChI
InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey
CKIIJIDEWWXQEA-UHFFFAOYSA-N
Canonic Smiles
BrCC1OCCO1
Isomeric Smiles
O1C(OCC1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0819122
LogD (pH = 7.4)
1.0819122
Log P
1.0819122
Molar Refractivity
29.1514
Polarizability
11.77032
Polar Surface Area
18.46
Rotatable Bonds
1
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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