Molecule

ID:74757

General Information
Structure
MolImage
Molecular Formula
C₆H₅BBr₂O₂
Molecular Mass
279.7217
Exact Mass
277.8749338
Charge
0
InChI
InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey
WQBLCGDZYFKINX-UHFFFAOYSA-N
Canonic Smiles
OB(c1cc(Br)cc(c1)Br)O
Isomeric Smiles
Brc1cc(cc(c1)Br)B(O)O
Calculated Properties
JChem
Acid pKa
8.592353
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.223051
LogD (pH = 7.4)
3.1965127
Log P
3.2234
Molar Refractivity
45.8491
Polarizability
19.477072
Polar Surface Area
40.46
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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