Molecule

ID:95436

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₆NO₂
Molecular Mass
237.0998192
Exact Mass
237.02244773
Charge
0
InChI
InChI=1S/C6H5F6NO2/c1-2-15-4(14)13-3(5(7,8)9)6(10,11)12/h2H2,1H3
InChIKey
HRXXRHLTFHWCCM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N=C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
N(=C(C(F)(F)F)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8962026
LogD (pH = 7.4)
2.8962026
Log P
2.8962026
Molar Refractivity
36.0104
Polarizability
13.12123
Polar Surface Area
38.66
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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