Molecule

ID:7685

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKey
DIEMCUFYSOEIDU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(n1)C(=O)O
Isomeric Smiles
c1c(nc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5373528
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6201255
LogD (pH = 7.4)
-2.0282602
Log P
1.3356392
Molar Refractivity
32.0164
Polarizability
11.610692
Polar Surface Area
50.19
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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