Molecule
ID:67667
General Information
Molecular Formula
C₅H₃FN₂O₃
Molecular Mass
158.0873232
Exact Mass
158.01277019
Charge
0
InChI
InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
InChIKey
QHWIGULJOZAPAQ-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
c1c(c(cc[n+]1[O-])[N+](=O)[O-])F
Calculated Properties
JChem
Acid pKa
14.369067
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.42189753
LogD (pH = 7.4)
-0.4218974
Log P
-0.4218974
Molar Refractivity
33.7503
Polarizability
11.795609
Polar Surface Area
70.08
Rotatable Bonds
1
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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