Molecule

ID:54148

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃O
Molecular Mass
214.1837696
Exact Mass
214.06054957
Charge
0
InChI
InChI=1S/C11H9F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-7H,1H3/b7-6+
InChIKey
DNMFDFHJWALWGN-VOTSOKGWSA-N
Canonic Smiles
CC(=O)/C=C/c1ccccc1C(F)(F)F
Isomeric Smiles
c1cccc(c1C(F)(F)F)/C=C/C(=O)C
Calculated Properties
JChem
Acid pKa
19.681452
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3435602
LogD (pH = 7.4)
3.3435602
Log P
3.3435602
Molar Refractivity
52.5847
Polarizability
18.6767
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
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Molecule Details
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References
Bioactivity
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