Molecule

ID:79935

General Information
Structure
MolImage
Molecular Formula
C₄H₆Br₂O₂
Molecular Mass
245.89724
Exact Mass
243.87345343
Charge
0
InChI
InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
QQZJWQCLWOQDQV-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(=O)O)CBr
Isomeric Smiles
O=C(C(CBr)CBr)O
Calculated Properties
JChem
Acid pKa
2.7310443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1613749
LogD (pH = 7.4)
-1.9602596
Log P
1.5388083
Molar Refractivity
37.4635
Polarizability
14.799181
Polar Surface Area
37.3
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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