Molecule

ID:28684

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
InChIKey
FSXFZWBQCAGFHG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)C(=O)O)F
Isomeric Smiles
c1c(nc(c(c1)F)C(=O)O)F
Calculated Properties
JChem
Acid pKa
3.8431196
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18222034
LogD (pH = 7.4)
-1.7637072
Log P
1.4783412
Molar Refractivity
32.2328
Polarizability
11.513165
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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