Molecule

ID:117214

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃N₅
Molecular Mass
217.1512496
Exact Mass
217.05752988
Charge
0
InChI
InChI=1S/C7H6F3N5/c1-3-2-4(11)15-6(12-3)13-5(14-15)7(8,9)10/h2H,11H2,1H3
InChIKey
QRCPPCZBRATEIF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)n2c(n1)nc(n2)C(F)(F)F
Isomeric Smiles
n12c(nc(n1)C(F)(F)F)nc(cc2N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.361729
LogD (pH = 7.4)
1.3617339
Log P
1.361734
Molar Refractivity
57.7847
Polarizability
15.912566
Polar Surface Area
69.1
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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