Molecule

ID:54884

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂O₂
Molecular Mass
144.1038032
Exact Mass
144.03350563
Charge
0
InChI
InChI=1S/C5H5FN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChIKey
REAPDCOFEGTTLS-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(O)c(c(n1)O)F
Isomeric Smiles
c1(nc(c(c(n1)O)F)O)C
Calculated Properties
JChem
Acid pKa
11.747002
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3955421
LogD (pH = 7.4)
1.3955235
Log P
1.3955425
Molar Refractivity
32.1519
Polarizability
11.444163
Polar Surface Area
66.24
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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