Molecule

ID:100377

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₂O
Molecular Mass
208.9882264
Exact Mass
207.93353316
Charge
0
InChI
InChI=1S/C6H3BrF2O/c7-6-4(9)1-3(8)2-5(6)10/h1-2,10H
InChIKey
AGMQCXYWIMAOMT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(O)c(c(c1)F)Br
Isomeric Smiles
Oc1c(c(cc(c1)F)F)Br
Calculated Properties
JChem
Acid pKa
6.2608523
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6549926
LogD (pH = 7.4)
1.6006795
Log P
2.723837
Molar Refractivity
36.0945
Polarizability
13.620136
Polar Surface Area
20.23
Rotatable Bonds
0
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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