Molecule

ID:97202

General Information
Structure
Molecular Formula
C₈H₃FN₂
Molecular Mass
146.1212232
Exact Mass
146.02802633
Charge
0
InChI
InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKey
QQEKYCCJLSRLEC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)ccc1C#N
Isomeric Smiles
Fc1cc(c(cc1)C#N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8281401
LogD (pH = 7.4)
1.8281401
Log P
1.8281401
Molar Refractivity
37.7176
Polarizability
13.682238
Polar Surface Area
47.58
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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