Molecule

ID:92899

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Br₂O₂
Molecular Mass
317.96144
Exact Mass
315.87345343
Charge
0
InChI
InChI=1S/C10H6Br2O2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
InChIKey
CWMRSJWOSLJADM-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cc2c(o1)ccc(c2)Br
Isomeric Smiles
o1c(cc2cc(ccc12)Br)C(=O)CBr
Calculated Properties
JChem
Acid pKa
13.641676
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1016095
LogD (pH = 7.4)
3.1016092
Log P
3.1016095
Molar Refractivity
60.5389
Polarizability
24.122591
Polar Surface Area
30.21
Rotatable Bonds
2
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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