Molecule

ID:89059

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O₃
Molecular Mass
295.91286
Exact Mass
293.85271799
Charge
0
InChI
InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
BFBZHSOXKROMBG-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)C(=O)O)O
Isomeric Smiles
O=C(c1c(c(cc(c1)Br)Br)O)O
Calculated Properties
JChem
Acid pKa
2.4893627
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6185925
LogD (pH = 7.4)
0.0025464715
Log P
3.5147686
Molar Refractivity
50.5407
Polarizability
19.484137
Polar Surface Area
57.53
Rotatable Bonds
1
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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