Molecule

ID:64412

General Information
Structure
MolImage
Molecular Formula
C₈H₆FN
Molecular Mass
135.1383432
Exact Mass
135.04842742
Charge
0
InChI
InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChIKey
ZWKIJOPJWWZLDI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2F
Calculated Properties
JChem
Acid pKa
16.18945
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.2147098
LogD (pH = 7.4)
2.2147098
Log P
2.2147098
Molar Refractivity
37.3609
Polarizability
15.188648
Polar Surface Area
15.79
Rotatable Bonds
0
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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