Molecule

ID:93534

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂F₇N
Molecular Mass
269.1184024
Exact Mass
269.00754661
Charge
0
InChI
InChI=1S/C10H2F7N/c11-3-1-2(4(12)8(16)7(3)15)6(14)10(18)9(17)5(1)13/h18H2
InChIKey
BMRANEJRVPFVBC-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)c(F)c(c2c1c(F)c(c(c2F)F)F)F
Isomeric Smiles
Fc1c(c2c(c(c(c(c2c(c1N)F)F)F)F)F)F
Calculated Properties
JChem
Acid pKa
13.223189
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1327102
LogD (pH = 7.4)
3.1327095
Log P
3.1327102
Molar Refractivity
48.7234
Polarizability
17.58182
Polar Surface Area
26.02
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
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References
Bioactivity
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