Molecule

ID:22278

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
InChIKey
KKQPNAPYVIIXFB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
c1c(c(cc(c1)N)F)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
18.907871
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.227001
LogD (pH = 7.4)
1.227006
Log P
1.227006
Molar Refractivity
37.2953
Polarizability
13.162789
Polar Surface Area
69.16
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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