Molecule

ID:16033

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O₂
Molecular Mass
279.91346
Exact Mass
277.85780337
Charge
0
InChI
InChI=1S/C7H4Br2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChIKey
WPYAICCSYGUFTK-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2OCOc2cc1Br
Isomeric Smiles
O1COc2c1cc(c(c2)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1339846
LogD (pH = 7.4)
3.1339846
Log P
3.1339846
Molar Refractivity
47.0705
Polarizability
18.86051
Polar Surface Area
18.46
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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