Molecule

ID:67440

General Information
Structure
MolImage
Molecular Formula
C₅H₃FN₂O₂
Molecular Mass
142.0879232
Exact Mass
142.01785557
Charge
0
InChI
InChI=1S/C5H3FN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
InChIKey
XOZAJNLUAODXSP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cn1)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2321901
LogD (pH = 7.4)
1.2321901
Log P
1.2321901
Molar Refractivity
31.4527
Polarizability
11.196611
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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