Molecule
ID:66148
General Information
Molecular Formula
C₁₀H₇F₂N
Molecular Mass
179.1660864
Exact Mass
179.05465567
Charge
0
InChI
InChI=1S/C10H7F2N/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-6,10H
InChIKey
XZMKLTOLYFIMES-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc2c1cccc2)F
Isomeric Smiles
n1ccc(c2ccccc12)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4967444
LogD (pH = 7.4)
2.5196872
Log P
2.5199885
Molar Refractivity
45.0633
Polarizability
18.143414
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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