Molecule

ID:64210

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrO₃
Molecular Mass
195.01128
Exact Mass
193.95785608
Charge
0
InChI
InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
InChIKey
VICYTAYPKBLQFB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CBr
Isomeric Smiles
C(=O)(C(=O)OCC)CBr
Calculated Properties
JChem
Acid pKa
14.948054
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5247483
LogD (pH = 7.4)
1.5247483
Log P
1.5247483
Molar Refractivity
35.2441
Polarizability
13.860195
Polar Surface Area
43.37
Rotatable Bonds
4
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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