Molecule

ID:15958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Br₂O₂
Molecular Mass
317.96144
Exact Mass
315.87345343
Charge
0
InChI
InChI=1S/C10H6Br2O2/c11-7-1-5-2-8(12)10(14)4-6(5)3-9(7)13/h1-4,13-14H
InChIKey
UAECXNARJOIHAO-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2cc(O)c(cc2cc1Br)Br
Isomeric Smiles
c1c(c(cc2cc(c(cc12)O)Br)Br)O
Calculated Properties
JChem
Acid pKa
7.606682
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8897305
LogD (pH = 7.4)
3.661062
Log P
3.8930972
Molar Refractivity
61.7156
Polarizability
24.73736
Polar Surface Area
40.46
Rotatable Bonds
0
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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