Molecule

ID:7962

General Information
Structure
MolImage
Molecular Formula
C₇H₄FN
Molecular Mass
121.1117632
Exact Mass
121.03277735
Charge
0
InChI
InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey
GDHXJNRAJRCGMX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1F
Isomeric Smiles
Fc1c(cccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.972044
LogD (pH = 7.4)
1.972044
Log P
1.972044
Molar Refractivity
31.996
Polarizability
11.826075
Polar Surface Area
23.79
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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