Molecule

ID:78481

General Information
Structure
MolImage
Molecular Formula
C₂H₃BrO
Molecular Mass
122.94862
Exact Mass
121.93672672
Charge
0
InChI
InChI=1S/C2H3BrO/c1-2(3)4/h1H3
InChIKey
FXXACINHVKSMDR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Br
Isomeric Smiles
O=C(C)Br
Calculated Properties
JChem
Acid pKa
19.058727
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.46003672
LogD (pH = 7.4)
0.46003672
Log P
0.46003672
Molar Refractivity
19.1011
Polarizability
7.576646
Polar Surface Area
17.07
Rotatable Bonds
0
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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