Molecule

ID:13657

General Information
Structure
MolImage
Molecular Formula
C₆H₆FN
Molecular Mass
111.1169432
Exact Mass
111.04842742
Charge
0
InChI
InChI=1S/C6H6FN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey
AOSOZARHUJMBLZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cn1)C
Isomeric Smiles
c1(cnc(cc1)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.805627
LogD (pH = 7.4)
1.8056273
Log P
1.8056273
Molar Refractivity
30.1734
Polarizability
10.868493
Polar Surface Area
12.89
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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