Molecule

ID:135953

General Information
Structure
MolImage
Molecular Formula
C₄H₇Br
Molecular Mass
138.97299935
Exact Mass
137.98653158
Charge
0
InChI
InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2/i1+1,2+1,3+1,4+1
InChIKey
DMAYBPBPEUFIHJ-JCDJMFQYSA-N
Canonic Smiles
Br[13CH2][13CH2][13CH]=[13CH2]
Isomeric Smiles
[13CH2]=[13CH][13CH2][13CH2]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0414212
LogD (pH = 7.4)
2.0414212
Log P
2.0414212
Molar Refractivity
28.2135
Polarizability
10.592228
Polar Surface Area
0.0
Rotatable Bonds
2
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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