Molecule

ID:8076

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
InChIKey
BEECAQIHCYTZHC-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)cc(c(c1F)F)F
Isomeric Smiles
Fc1c(F)c(F)c(c(c1)N)F
Calculated Properties
JChem
Acid pKa
16.981722
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7151251
LogD (pH = 7.4)
1.7151276
Log P
1.7151276
Molar Refractivity
31.624
Polarizability
10.757208
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
References
Bioactivity
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