Molecule

ID:38355

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKey
JTKFIIQGMVKDNZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1)C(=O)O
Isomeric Smiles
c1(cnc(cc1)C(=O)O)F
Calculated Properties
JChem
Acid pKa
3.7581618
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8384663
LogD (pH = 7.4)
-2.3556216
Log P
0.94170856
Molar Refractivity
31.0017
Polarizability
11.610658
Polar Surface Area
50.19
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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