Molecule

ID:67712

General Information
Structure
MolImage
Molecular Formula
C₄H₄FN₃
Molecular Mass
113.0930632
Exact Mass
113.03892536
Charge
0
InChI
InChI=1S/C4H4FN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey
FUNBZJKZJGKXQB-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1)N
Isomeric Smiles
c1(ncc(cn1)F)N
Calculated Properties
JChem
Acid pKa
17.013044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.042249657
LogD (pH = 7.4)
0.042296857
Log P
0.04229746
Molar Refractivity
27.5851
Polarizability
9.475598
Polar Surface Area
51.8
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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