Molecule

ID:71941

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂O₂
Molecular Mass
144.1038032
Exact Mass
144.03350563
Charge
0
InChI
InChI=1S/C5H5FN2O2/c1-10-4-3(6)2-7-5(9)8-4/h2H,1H3,(H,7,8,9)
InChIKey
ASGDDXBMJFMJMY-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cnc(=O)[nH]1
Isomeric Smiles
c1nc(=O)[nH]c(c1F)OC
Calculated Properties
JChem
Acid pKa
7.0775323
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20818533
LogD (pH = 7.4)
-0.59639597
Log P
-0.19815458
Molar Refractivity
41.3114
Polarizability
11.546977
Polar Surface Area
50.69
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
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Molecule Details
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References
Bioactivity
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