Molecule

ID:6569

General Information
Structure
Molecular Formula
C₆H₃BrF₂O
Molecular Mass
208.9882264
Exact Mass
207.93353316
Charge
0
InChI
InChI=1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H
InChIKey
FCYZOOHWUOEAOX-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(cc1O)F
Isomeric Smiles
c1(c(cc(c(c1)O)Br)F)F
Calculated Properties
JChem
Acid pKa
6.995136
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.710267
LogD (pH = 7.4)
2.182764
Log P
2.723837
Molar Refractivity
36.0945
Polarizability
13.612215
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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