Molecule

ID:64308

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂O₂
Molecular Mass
241.86548
Exact Mass
239.8421533
Charge
0
InChI
InChI=1S/C4H2Br2O2/c5-2-1-8-4(7)3(2)6/h1H2
InChIKey
UBAYSWXSWXORAN-UHFFFAOYSA-N
Canonic Smiles
BrC1=C(Br)C(=O)OC1
Isomeric Smiles
C1(=C(COC1=O)Br)Br
Calculated Properties
JChem
Acid pKa
13.968047
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4917469
LogD (pH = 7.4)
1.4917468
Log P
1.4917469
Molar Refractivity
36.3909
Polarizability
14.133743
Polar Surface Area
26.3
Rotatable Bonds
0
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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