Molecule

ID:99839

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O
Molecular Mass
140.1151032
Exact Mass
140.03859101
Charge
0
InChI
InChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey
IKRHXEUDAFUUKD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(n1)C(=O)N
Isomeric Smiles
n1c(cccc1F)C(=O)N
Calculated Properties
JChem
Acid pKa
13.663276
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5286966
LogD (pH = 7.4)
0.52869684
Log P
0.5286966
Molar Refractivity
33.8386
Polarizability
12.062767
Polar Surface Area
55.98
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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