Molecule

ID:93261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO
Molecular Mass
229.1984096
Exact Mass
229.07144861
Charge
0
InChI
InChI=1S/C11H10F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-6H,1H2,2H3,(H,15,16)
InChIKey
OETLZVCBEFCBAO-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1cc(ccc1)C(F)(F)F)C(=O)C(=C)C
Calculated Properties
JChem
Acid pKa
14.174301
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.240648
LogD (pH = 7.4)
3.240648
Log P
3.2406483
Molar Refractivity
55.8995
Polarizability
19.770376
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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