Molecule

ID:68666

General Information
Structure
MolImage
Molecular Formula
C₈H₆FN
Molecular Mass
135.1383432
Exact Mass
135.04842742
Charge
0
InChI
InChI=1S/C8H6FN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
InChIKey
GKUQCZSZQBEHCP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)cc(c1)F
Isomeric Smiles
C(#N)c1cc(cc(c1)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4854653
LogD (pH = 7.4)
2.4854653
Log P
2.4854653
Molar Refractivity
37.0372
Polarizability
13.583621
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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