Molecule

ID:126249

General Information
Structure
MolImage
Molecular Formula
C₃H₅BrO
Molecular Mass
136.9752
Exact Mass
135.95237678
Charge
0
InChI
InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKey
VQFAIAKCILWQPZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CBr
Isomeric Smiles
BrCC(=O)C
Calculated Properties
JChem
Acid pKa
17.795174
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8291189
LogD (pH = 7.4)
0.8291189
Log P
0.8291189
Molar Refractivity
23.9315
Polarizability
9.292307
Polar Surface Area
17.07
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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