Molecule

ID:51446

General Information
Structure
MolImage
Molecular Formula
C₇H₉F₆NO₂
Molecular Mass
253.1422792
Exact Mass
253.05374785
Charge
0
InChI
InChI=1S/C7H9F6NO2/c1-2-16-5(15)3(14)4(6(8,9)10)7(11,12)13/h3-4H,2,14H2,1H3
InChIKey
PGOSQXOLEQZPBM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(F)(F)F)C(F)(F)F)N
Isomeric Smiles
C(=O)(C(C(C(F)(F)F)C(F)(F)F)N)OCC
Calculated Properties
JChem
Acid pKa
14.273703
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.04239692
LogD (pH = 7.4)
1.2616882
Log P
1.3854975
Molar Refractivity
40.724
Polarizability
15.48659
Polar Surface Area
52.32
Rotatable Bonds
6
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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