Molecule

ID:88897

General Information
Structure
MolImage
Molecular Formula
C₄H₉Br
Molecular Mass
137.01826
Exact Mass
135.98876229
Charge
0
InChI
InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey
UPSXAPQYNGXVBF-UHFFFAOYSA-N
Canonic Smiles
CCC(Br)C
Isomeric Smiles
BrC(CC)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3174155
LogD (pH = 7.4)
2.3174155
Log P
2.3174155
Molar Refractivity
27.9872
Polarizability
10.849603
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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