Molecule

ID:122637

General Information
Structure
MolImage
Molecular Formula
C₉H₅FN₂O₃
Molecular Mass
208.1460032
Exact Mass
208.02842025
Charge
0
InChI
InChI=1S/C9H5FN2O3/c10-6-4-2-1-3-5(6)7-11-8(9(13)14)15-12-7/h1-4H,(H,13,14)
InChIKey
JJHUTISCONIKNH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1noc(n1)C(=O)O
Isomeric Smiles
n1c(onc1c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5185246
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.624061
LogD (pH = 7.4)
-1.3068298
Log P
2.262438
Molar Refractivity
59.035
Polarizability
17.914394
Polar Surface Area
76.22
Rotatable Bonds
2
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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