Molecule
ID:8853
General Information
Molecular Formula
C₆F₈N₂
Molecular Mass
252.0648256
Exact Mass
251.99337377
Charge
0
InChI
InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16
InChIKey
PZIVXXORSILYOQ-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(#N)C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.654717
LogD (pH = 7.4)
2.654717
Log P
2.654717
Molar Refractivity
31.0692
Polarizability
11.564045
Polar Surface Area
47.58
Rotatable Bonds
3
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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