Molecule
ID:122559
General Information
Molecular Formula
C₁₀H₄Br₂O₄
Molecular Mass
347.94436
Exact Mass
345.84763261
Charge
0
InChI
InChI=1S/C10H4Br2O4/c11-4-1-5-7(13)3-8(10(14)15)16-9(5)6(12)2-4/h1-3H,(H,14,15)
InChIKey
MBAHJVWHVARFAZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c2c(c1)c(=O)cc(o2)C(=O)O
Isomeric Smiles
c1(oc2c(c(=O)c1)cc(cc2Br)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
-6.044493
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6593304
LogD (pH = 7.4)
-0.69438946
Log P
2.8346124
Molar Refractivity
63.839
Polarizability
24.145779
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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