Molecule

ID:9370

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₂N
Molecular Mass
153.1288064
Exact Mass
153.03900561
Charge
0
InChI
InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey
GNPYERUNJMDEFQ-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(c(c1)F)F
Isomeric Smiles
C(C#N)c1cc(c(cc1)F)F
Calculated Properties
JChem
Acid pKa
13.207373
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9543469
LogD (pH = 7.4)
1.9543462
Log P
1.9543469
Molar Refractivity
36.7777
Polarizability
13.280143
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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