Molecule

ID:98703

General Information
Structure
MolImage
Molecular Formula
C₆HFN₄
Molecular Mass
148.0973432
Exact Mass
148.01852427
Charge
0
InChI
InChI=1S/C6HFN4/c7-4-3-10-6(2-9)11-5(4)1-8/h3H
InChIKey
LKPKBTPEPJVRDX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(c(n1)C#N)F
Isomeric Smiles
n1c(nc(c(c1)F)C#N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9824181
LogD (pH = 7.4)
0.9824181
Log P
0.9824181
Molar Refractivity
33.6708
Polarizability
12.062645
Polar Surface Area
73.36
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
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Molecule Details
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References
Bioactivity
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