Molecule

ID:97294

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₆N₃
Molecular Mass
231.0985392
Exact Mass
231.02311643
Charge
0
InChI
InChI=1S/C6H3F6N3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h1-3H
InChIKey
MVQIQWCWIMQVFD-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc(nc(n1)C(F)F)C(F)F)F
Isomeric Smiles
n1c(nc(nc1C(F)F)C(F)F)C(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2672057
LogD (pH = 7.4)
2.2672057
Log P
2.2672057
Molar Refractivity
36.8112
Polarizability
12.863043
Polar Surface Area
38.67
Rotatable Bonds
3
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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