Molecule

ID:51587

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(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
InChIKey
LLLGMKGDTWQLRK-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C(=O)O)N
Isomeric Smiles
c1(cnc(c(c1)C(=O)O)N)F
Calculated Properties
JChem
Acid pKa
4.308407
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.2758413
LogD (pH = 7.4)
-2.0077379
Log P
0.84052616
Molar Refractivity
36.3876
Polarizability
12.785616
Polar Surface Area
76.21
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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