Molecule

ID:8067

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₇N
Molecular Mass
233.0863024
Exact Mass
233.00754661
Charge
0
InChI
InChI=1S/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
InChIKey
FJOACTZFMHZHSC-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)c(F)c(c(c1F)C(F)(F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)N)F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.7139225
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.592976
LogD (pH = 7.4)
2.5929742
Log P
2.592976
Molar Refractivity
37.5977
Polarizability
12.631126
Polar Surface Area
26.02
Rotatable Bonds
1
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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