Molecule

ID:99064

General Information
Structure
MolImage
Molecular Formula
C₉H₃ClFNO₄
Molecular Mass
243.5758232
Exact Mass
242.97346348
Charge
0
InChI
InChI=1S/C9H3ClFNO4/c10-7-5-3-4(11)1-2-6(5)16-9(13)8(7)12(14)15/h1-3H
InChIKey
HNGGDISWABEPNU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(Cl)c(c(=O)o2)[N+](=O)[O-]
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8411129
LogD (pH = 7.4)
1.8411129
Log P
1.8411129
Molar Refractivity
52.7749
Polarizability
19.44584
Polar Surface Area
72.12
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
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Molecule Details
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References
Bioactivity
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