Molecule

ID:22550

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
InChIKey
BXZSBDDOYIWMGC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)cnc1
Isomeric Smiles
C(=O)(c1cc(cnc1)F)O
Calculated Properties
JChem
Acid pKa
3.6849306
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2605546
LogD (pH = 7.4)
-2.7568479
Log P
0.55585825
Molar Refractivity
31.3737
Polarizability
11.605794
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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