Molecule

ID:88063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Br₂O₂
Molecular Mass
321.9932
Exact Mass
319.90475356
Charge
0
InChI
InChI=1S/C10H10Br2O2/c1-14-10(13)7-2-3-8(5-11)9(4-7)6-12/h2-4H,5-6H2,1H3
InChIKey
PZOQMRZOUBBQFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)CBr)CBr
Isomeric Smiles
O(C(=O)c1cc(c(cc1)CBr)CBr)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5221975
LogD (pH = 7.4)
3.5221975
Log P
3.5221975
Molar Refractivity
63.7841
Polarizability
24.105568
Polar Surface Area
26.3
Rotatable Bonds
4
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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