Molecule

ID:9339

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)F)F
Isomeric Smiles
c1(cc(c(cc1)F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.198634
LogD (pH = 7.4)
2.198634
Log P
2.198634
Molar Refractivity
32.8113
Polarizability
11.862689
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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