Molecule

ID:69620

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Br₂O₂
Molecular Mass
366.00424
Exact Mass
363.87345343
Charge
0
InChI
InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H
InChIKey
JUFYHUWBLXKCJM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)Br
Isomeric Smiles
c1c(ccc2C(=O)c3cc(ccc3C(=O)c12)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.456211
LogD (pH = 7.4)
4.456211
Log P
4.456211
Molar Refractivity
76.3966
Polarizability
29.0067
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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