Molecule

ID:95025

General Information
Structure
Molecular Formula
C₇H₅F₂NO₂
Molecular Mass
173.1169064
Exact Mass
173.02883485
Charge
0
InChI
InChI=1S/C7H5F2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
InChIKey
QRGQSKODTJDDHT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(c(c1)F)C
Isomeric Smiles
Fc1cc(cc(c1C)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7120552
LogD (pH = 7.4)
2.7120552
Log P
2.7120552
Molar Refractivity
37.8525
Polarizability
13.582199
Polar Surface Area
43.14
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
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Molecule Details
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References
Bioactivity
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