Molecule

ID:110118

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrO₄
Molecular Mass
211.01068
Exact Mass
209.9527707
Charge
0
InChI
InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChIKey
NEMOJKROKMMQBQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)Br
Isomeric Smiles
COC(=O)C(Br)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.334731
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.78559315
LogD (pH = 7.4)
0.7850955
Log P
0.7855995
Molar Refractivity
35.8987
Polarizability
14.675106
Polar Surface Area
52.6
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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