Molecule

ID:66115

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃N
Molecular Mass
197.1565496
Exact Mass
197.04523386
Charge
0
InChI
InChI=1S/C10H6F3N/c11-10(12,13)9-8-4-2-1-3-7(8)5-6-14-9/h1-6H
InChIKey
YMIKANRMRRBHTB-UHFFFAOYSA-N
Canonic Smiles
FC(c1nccc2c1cccc2)(F)F
Isomeric Smiles
c1(nccc2ccccc12)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.008664
LogD (pH = 7.4)
3.0087478
Log P
3.008749
Molar Refractivity
45.953
Polarizability
17.91848
Polar Surface Area
12.89
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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