Molecule

ID:52696

General Information
Structure
MolImage
Molecular Formula
C₇H₄FN
Molecular Mass
121.1117632
Exact Mass
121.03277735
Charge
0
InChI
InChI=1S/C7H4FN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H
InChIKey
VOBVNAROKVDQSV-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(nc1)F
Isomeric Smiles
c1(cnc(cc1)F)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4430413
LogD (pH = 7.4)
1.4430413
Log P
1.4430413
Molar Refractivity
30.3045
Polarizability
11.679452
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
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References
Bioactivity
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