Molecule

ID:75040

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrO
Molecular Mass
151.00178
Exact Mass
149.96802684
Charge
0
InChI
InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3
InChIKey
BCFCTTHZFYZOHT-UHFFFAOYSA-N
Canonic Smiles
CCO/C=C/Br
Isomeric Smiles
O(/C=C/Br)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4679372
LogD (pH = 7.4)
1.4679372
Log P
1.4679372
Molar Refractivity
29.0729
Polarizability
11.396104
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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