Molecule

ID:108543

General Information
Structure
MolImage
Molecular Formula
C₄H₉Br
Molecular Mass
137.01826
Exact Mass
135.98876229
Charge
0
InChI
InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey
HLVFKOKELQSXIQ-UHFFFAOYSA-N
Canonic Smiles
BrCC(C)C
Isomeric Smiles
CC(C)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.265813
LogD (pH = 7.4)
2.265813
Log P
2.265813
Molar Refractivity
28.04
Polarizability
10.848202
Polar Surface Area
0.0
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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