Molecule

ID:7544

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey
JMPFWDWYGOWUFP-UHFFFAOYSA-N
Canonic Smiles
Fc1nccc(c1)C(=O)O
Isomeric Smiles
c1c(nccc1C(=O)O)F
Calculated Properties
JChem
Acid pKa
3.5594327
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9846805
LogD (pH = 7.4)
-2.406981
Log P
0.9497889
Molar Refractivity
32.3884
Polarizability
11.605373
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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