Molecule

ID:8339

General Information
Structure
Molecular Formula
C₈H₆FN
Molecular Mass
135.1383432
Exact Mass
135.04842742
Charge
0
InChI
InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChIKey
DEJPYROXSVVWIE-UHFFFAOYSA-N
Canonic Smiles
N#CCc1cccc(c1)F
Isomeric Smiles
C(C#N)c1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
13.509706
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8116449
LogD (pH = 7.4)
1.8116446
Log P
1.8116449
Molar Refractivity
36.5613
Polarizability
13.512437
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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