Molecule

ID:64464

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrO₂
Molecular Mass
164.9853
Exact Mass
163.9472914
Charge
0
InChI
InChI=1S/C4H5BrO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2-
InChIKey
HGOGNLOBEAIJAM-IHWYPQMZSA-N
Canonic Smiles
COC(=O)/C=C\Br
Isomeric Smiles
C(=C\Br)\C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3940802
LogD (pH = 7.4)
1.3940802
Log P
1.3940802
Molar Refractivity
29.6801
Polarizability
11.614982
Polar Surface Area
26.3
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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