Molecule

ID:61814

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrFN
Molecular Mass
214.0344032
Exact Mass
212.95893939
Charge
0
InChI
InChI=1S/C8H5BrFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H
InChIKey
OIUXEDBYFWPCLF-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2[nH]ccc2cc1F
Isomeric Smiles
[nH]1ccc2cc(c(cc12)Br)F
Calculated Properties
JChem
Acid pKa
16.25862
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.9834623
LogD (pH = 7.4)
2.9834623
Log P
2.9834623
Molar Refractivity
44.9837
Polarizability
17.98539
Polar Surface Area
15.79
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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