Molecule

ID:69616

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O₂
Molecular Mass
279.91346
Exact Mass
277.85780337
Charge
0
InChI
InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
NAGGYODWMPFKJQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)Br)Br)O
Calculated Properties
JChem
Acid pKa
3.2184463
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9083867
LogD (pH = 7.4)
-0.27380702
Log P
3.168334
Molar Refractivity
48.5598
Polarizability
18.74094
Polar Surface Area
37.3
Rotatable Bonds
1
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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