Molecule

ID:66767

General Information
Structure
MolImage
Molecular Formula
C₄H₃FN₂O
Molecular Mass
114.0778232
Exact Mass
114.02294095
Charge
0
InChI
InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
NBAHQCCWEKHGTD-UHFFFAOYSA-N
Canonic Smiles
Fc1cncnc1O
Isomeric Smiles
c1nc(c(cn1)F)O
Calculated Properties
JChem
Acid pKa
10.945735
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.48332745
LogD (pH = 7.4)
0.483208
Log P
0.4833296
Molar Refractivity
25.2331
Polarizability
9.00597
Polar Surface Area
46.01
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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