Molecule

ID:68241

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₂NO₂
Molecular Mass
193.5353864
Exact Mass
192.97421243
Charge
0
InChI
InChI=1S/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
InChIKey
UIOYEIHBWQTVJC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(cc1F)F
Isomeric Smiles
c1(c(cc(c(c1)[N+](=O)[O-])F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8026786
LogD (pH = 7.4)
2.8026786
Log P
2.8026786
Molar Refractivity
37.6161
Polarizability
13.899028
Polar Surface Area
43.14
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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