Molecule

ID:60220

General Information
Structure
MolImage
Molecular Formula
C₆H₄FN₃
Molecular Mass
137.1144632
Exact Mass
137.03892536
Charge
0
InChI
InChI=1S/C6H4FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKey
SYGGDXKMRDPIKQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nn[nH]2
Isomeric Smiles
n1nc2c([nH]1)ccc(c2)F
Calculated Properties
JChem
Acid pKa
8.663469
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4436879
LogD (pH = 7.4)
1.421509
Log P
1.4439842
Molar Refractivity
34.2745
Polarizability
13.433568
Polar Surface Area
41.57
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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