Molecule

ID:9887

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O
Molecular Mass
202.1730696
Exact Mass
202.06054957
Charge
0
InChI
InChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey
UBTPNKXHYILGJU-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(=O)CC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.551193
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1092777
LogD (pH = 7.4)
3.1092777
Log P
3.1092777
Molar Refractivity
47.0614
Polarizability
17.041157
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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