Molecule

ID:107489

General Information
Structure
MolImage
Molecular Formula
C₄H₆Br₂O₂
Molecular Mass
245.89724
Exact Mass
243.87345343
Charge
0
InChI
InChI=1S/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)
InChIKey
HESQKTULJLBDRF-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)O)Br)Br
Isomeric Smiles
CC(Br)C(Br)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4081604
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9790274
LogD (pH = 7.4)
-1.5367382
Log P
1.9780098
Molar Refractivity
36.8713
Polarizability
14.806977
Polar Surface Area
37.3
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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