Molecule

ID:94408

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2
InChIKey
PENWGQNPFRRVQI-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1F
Isomeric Smiles
Fc1c(cccc1)NN
Calculated Properties
JChem
Acid pKa
16.647337
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.409334
LogD (pH = 7.4)
1.5061022
Log P
1.5075904
Molar Refractivity
35.9811
Polarizability
12.561621
Polar Surface Area
38.05
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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