Molecule

ID:66201

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-3-1-4(8)5(6(9)10)11-2-3/h1-2,6H
InChIKey
XBFNYIPEEGQIKO-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)F)C(F)F
Isomeric Smiles
c1(c(cc(cn1)F)F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5870214
LogD (pH = 7.4)
1.5870214
Log P
1.5870214
Molar Refractivity
29.0642
Polarizability
10.651112
Polar Surface Area
12.89
Rotatable Bonds
1
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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