Molecule

ID:70931

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₄NO₂
Molecular Mass
209.0978328
Exact Mass
209.00999122
Charge
0
InChI
InChI=1S/C7H3F4NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChIKey
RKLBCPTURHSIOJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Isomeric Smiles
c1(cc(cc(c1)[N+](=O)[O-])F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9337804
LogD (pH = 7.4)
2.9337804
Log P
2.9337804
Molar Refractivity
38.5686
Polarizability
13.608611
Polar Surface Area
43.14
Rotatable Bonds
2
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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