Molecule

ID:53883

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrO₃
Molecular Mass
195.01128
Exact Mass
193.95785608
Charge
0
InChI
InChI=1S/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3
InChIKey
HYDCQMJFDPQCJH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)C(Br)C
Isomeric Smiles
CC(C(=O)C(=O)OC)Br
Calculated Properties
JChem
Acid pKa
14.930001
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7367047
LogD (pH = 7.4)
1.7367046
Log P
1.7367047
Molar Refractivity
34.9894
Polarizability
13.861657
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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