Molecule

ID:92299

General Information
Structure
MolImage
Molecular Formula
C₄H₄Br₂O₄
Molecular Mass
275.88016
Exact Mass
273.84763261
Charge
0
InChI
InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey
FJWGRXKOBIVTFA-UHFFFAOYSA-N
Canonic Smiles
BrC(C(C(=O)O)Br)C(=O)O
Isomeric Smiles
O=C(O)C(C(C(=O)O)Br)Br
Calculated Properties
JChem
Acid pKa
1.7142133
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.8188894
LogD (pH = 7.4)
-5.5520663
Log P
1.2513744
Molar Refractivity
38.2824
Polarizability
15.712094
Polar Surface Area
74.6
Rotatable Bonds
3
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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