Molecule
ID:29901
General Information
Molecular Formula
C₁₀H₆F₃N
Molecular Mass
197.1565496
Exact Mass
197.04523386
Charge
0
InChI
InChI=1S/C10H6F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H
InChIKey
AJXUSUNIYLSPER-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc2c1nccc2)(F)F
Isomeric Smiles
c1ccc2c(c1C(F)(F)F)nccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.007115
LogD (pH = 7.4)
3.0087283
Log P
3.008749
Molar Refractivity
45.953
Polarizability
17.921053
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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