Molecule

ID:7621

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey
KJVBJICWGQIMOZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)N)F
Isomeric Smiles
c1(c(ccc(c1)[N+](=O)[O-])F)N
Calculated Properties
JChem
Acid pKa
16.22416
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2270048
LogD (pH = 7.4)
1.227006
Log P
1.227006
Molar Refractivity
37.2953
Polarizability
13.163486
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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