Molecule

ID:97185

General Information
Structure
Molecular Formula
C₇H₄ClF₂NO₃
Molecular Mass
223.5613664
Exact Mass
222.98477711
Charge
0
InChI
InChI=1S/C7H4ClF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
InChIKey
WPALJCCMLCPKMZ-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)[N+](=O)[O-])(Cl)F
Isomeric Smiles
[N+](=O)(c1ccc(cc1)OC(Cl)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6319308
LogD (pH = 7.4)
3.6319308
Log P
3.6319308
Molar Refractivity
36.453
Polarizability
16.4794
Polar Surface Area
55.05
Rotatable Bonds
3
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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