Molecule

ID:39793

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Br₂O₄
Molecular Mass
347.94436
Exact Mass
345.84763261
Charge
0
InChI
InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
InChIKey
KJFIZDKBEUTEPR-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)O
Isomeric Smiles
c1(c(=O)oc2c(c1)cc(cc2Br)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7669088
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.41039562
LogD (pH = 7.4)
-0.617953
Log P
2.908108
Molar Refractivity
62.8685
Polarizability
24.220112
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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