Molecule

ID:97812

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,8H2,(H,10,11)
InChIKey
FKAPYWMIMWHEGR-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)N)C(=O)O
Isomeric Smiles
n1c(c(cc(c1)F)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.423711
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.36136857
LogD (pH = 7.4)
-2.1180823
Log P
0.76278263
Molar Refractivity
35.7021
Polarizability
12.790588
Polar Surface Area
76.21
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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