Molecule
ID:66145
General Information
Molecular Formula
C₁₂H₉F₂N
Molecular Mass
205.2033664
Exact Mass
205.07030573
Charge
0
InChI
InChI=1S/C12H9F2N/c13-12(14,10-5-2-1-3-6-10)11-7-4-8-15-9-11/h1-9H
InChIKey
BIHFBLACMWGZPI-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccnc1)(c1ccccc1)F
Isomeric Smiles
c1c(cccn1)C(c1ccccc1)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0762289
LogD (pH = 7.4)
3.1030855
Log P
3.1034415
Molar Refractivity
53.7053
Polarizability
20.238205
Polar Surface Area
12.89
Rotatable Bonds
2
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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