Molecule
ID:96854
General Information
Molecular Formula
C₈H₅F₂N
Molecular Mass
153.1288064
Exact Mass
153.03900561
Charge
0
InChI
InChI=1S/C8H5F2N/c1-2-5-3-6(9)7(10)4-8(5)11/h1,3-4H,11H2
InChIKey
LNQYKYKVMWBRQK-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cc(F)c(cc1N)F
Isomeric Smiles
Nc1c(cc(c(c1)F)F)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5803788
LogD (pH = 7.4)
1.5805568
Log P
1.580559
Molar Refractivity
36.3635
Polarizability
13.458736
Polar Surface Area
26.02
Rotatable Bonds
0
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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