Molecule

ID:64245

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrO₂
Molecular Mass
150.95872
Exact Mass
149.93164134
Charge
0
InChI
InChI=1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H
InChIKey
SURMYNZXHKLDFO-UHFFFAOYSA-N
Canonic Smiles
O=CC(C=O)Br
Isomeric Smiles
O=CC(C=O)Br
Calculated Properties
JChem
Acid pKa
4.4680343
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.89006907
LogD (pH = 7.4)
-2.5212631
Log P
0.17657888
Molar Refractivity
24.5097
Polarizability
9.544977
Polar Surface Area
34.14
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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