Molecule

ID:68236

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂O
Molecular Mass
251.90336
Exact Mass
249.86288875
Charge
0
InChI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1O)Br
Isomeric Smiles
c1(c(cccc1Br)Br)O
Calculated Properties
JChem
Acid pKa
6.7895308
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1856122
LogD (pH = 7.4)
2.514804
Log P
3.2071857
Molar Refractivity
43.2845
Polarizability
16.916832
Polar Surface Area
20.23
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
References
Bioactivity
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