Molecule

ID:69451

General Information
Structure
Molecular Formula
C₃H₅BrO₂
Molecular Mass
152.9746
Exact Mass
151.9472914
Charge
0
InChI
InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChIKey
DHXNZYCXMFBMHE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCBr
Isomeric Smiles
C(=O)(CCBr)O
Calculated Properties
JChem
Acid pKa
3.2381432
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5048802
LogD (pH = 7.4)
-2.70198
Log P
0.7365061
Molar Refractivity
25.0798
Polarizability
9.895464
Polar Surface Area
37.3
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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