Molecule

ID:78400

General Information
Structure
MolImage
Molecular Formula
C₄H₆Br₂O₂
Molecular Mass
245.89724
Exact Mass
243.87345343
Charge
0
InChI
InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2
InChIKey
MELXIJRBKWTTJH-UHFFFAOYSA-N
Canonic Smiles
OC/C(=C(/CO)\Br)/Br
Isomeric Smiles
OC/C(=C(\Br)/CO)/Br
Calculated Properties
JChem
Acid pKa
13.6916
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.121478684
LogD (pH = 7.4)
0.12147847
Log P
0.12147869
Molar Refractivity
39.9406
Polarizability
15.216607
Polar Surface Area
40.46
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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