Molecule

ID:54849

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO
Molecular Mass
143.0909264
Exact Mass
143.01827016
Charge
0
InChI
InChI=1S/C6H3F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
InChIKey
ZYCCUPSLEFLBNR-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)ccc1C=O
Isomeric Smiles
c1(c(ccc(n1)F)C=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.541341
LogD (pH = 7.4)
1.541341
Log P
1.541341
Molar Refractivity
32.9473
Polarizability
10.927454
Polar Surface Area
29.96
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
No Data Available
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Molecule Details
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References
Bioactivity
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