Molecule

ID:7236

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey
PUGDHSSOXPHLPT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])N
Isomeric Smiles
c1(c(cc(cc1)F)[N+](=O)[O-])N
Calculated Properties
JChem
Molar Refractivity
37.2953
Polarizability
13.164712
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
15.356879
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8770052
LogD (pH = 7.4)
1.8770059
Log P
1.8770059
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
References
Bioactivity
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