Molecule

ID:106190

General Information
Structure
MolImage
Molecular Formula
C₄H₄FN₃O
Molecular Mass
129.0924632
Exact Mass
129.03383998
Charge
0
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey
XRECTZIEBJDKEO-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(c(n1)N)F
Isomeric Smiles
Nc1nc(O)ncc1F
Calculated Properties
JChem
Acid pKa
13.226576
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3331689
LogD (pH = 7.4)
0.33318877
Log P
0.33318967
Molar Refractivity
29.8795
Polarizability
10.188659
Polar Surface Area
72.03
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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