Molecule

ID:100921

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO₂
Molecular Mass
233.1871096
Exact Mass
233.06636323
Charge
0
InChI
InChI=1S/C10H10F3NO2/c1-6-5-8(16-10(11,12)13)3-4-9(6)14-7(2)15/h3-5H,1-2H3,(H,14,15)
InChIKey
PORWMQQDFCDCPW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1C)OC(F)(F)F
Isomeric Smiles
N(c1c(cc(cc1)OC(F)(F)F)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.8604355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1554892
LogD (pH = 7.4)
3.1554892
Log P
3.1554892
Molar Refractivity
49.0325
Polarizability
18.940886
Polar Surface Area
38.33
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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