Molecule

ID:65859

General Information
Structure
Molecular Formula
C₈H₃BrFNO₂
Molecular Mass
244.0173232
Exact Mass
242.93311856
Charge
0
InChI
InChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKey
GEILBCZHJGIPBQ-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1=O)c(Br)ccc2F
Isomeric Smiles
c1cc(c2c(c1Br)C(=O)C(=O)N2)F
Calculated Properties
JChem
Acid pKa
7.971002
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5116055
LogD (pH = 7.4)
2.4154685
Log P
2.512998
Molar Refractivity
48.3142
Polarizability
17.40758
Polar Surface Area
46.17
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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