Molecule

ID:58613

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O₂
Molecular Mass
279.91346
Exact Mass
277.85780337
Charge
0
InChI
InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
SXRHGLQCOLNZPT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)c(c(c1)Br)O
Isomeric Smiles
c1c(c(c(cc1C=O)Br)O)Br
Calculated Properties
JChem
Acid pKa
4.6327763
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0239525
LogD (pH = 7.4)
0.9335719
Log P
2.919688
Molar Refractivity
49.8685
Polarizability
18.896376
Polar Surface Area
37.3
Rotatable Bonds
1
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
References
Bioactivity
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