Molecule
ID:54888
General Information
Molecular Formula
C₄H₄FN₃O₂
Molecular Mass
145.0918632
Exact Mass
145.0287546
Charge
0
InChI
InChI=1S/C4H4FN3O2/c5-1-2(9)7-4(6)8-3(1)10/h(H4,6,7,8,9,10)
InChIKey
XCKBZBJTAFWAEN-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(O)c(c(n1)O)F
Isomeric Smiles
c1(nc(c(c(n1)O)F)O)N
Calculated Properties
JChem
Acid pKa
11.915145
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.6240814
LogD (pH = 7.4)
0.6240688
Log P
0.62408185
Molar Refractivity
32.1739
Polarizability
10.910516
Polar Surface Area
92.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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