Molecule

ID:99271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO
Molecular Mass
217.1877096
Exact Mass
217.07144861
Charge
0
InChI
InChI=1S/C10H10F3NO/c1-2-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
RQXGETUNXUENJX-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
FC(c1cccc(c1)NC(=O)CC)(F)F
Calculated Properties
JChem
Acid pKa
13.946959
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7893405
LogD (pH = 7.4)
2.7893405
Log P
2.7893405
Molar Refractivity
51.5216
Polarizability
18.222372
Polar Surface Area
29.1
Rotatable Bonds
3
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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