Molecule

ID:64410

General Information
Structure
MolImage
Molecular Formula
C₅H₃FN₂O₂
Molecular Mass
142.0879232
Exact Mass
142.01785557
Charge
0
InChI
InChI=1S/C5H3FN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
InChIKey
DIFITFKCBAVEAX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccncc1F
Isomeric Smiles
c1cncc(c1[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8382594
LogD (pH = 7.4)
0.8382595
Log P
0.8382595
Molar Refractivity
30.438
Polarizability
11.197713
Polar Surface Area
56.03
Rotatable Bonds
1
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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