Molecule

ID:98614

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O
Molecular Mass
202.1730696
Exact Mass
202.06054957
Charge
0
InChI
InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3
InChIKey
JPHQCDCEBDRIOL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
O=C(Cc1cc(ccc1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
15.342422
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.818468
LogD (pH = 7.4)
2.818468
Log P
2.818468
Molar Refractivity
46.8904
Polarizability
17.057858
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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