Molecule

ID:42532

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃O₂
Molecular Mass
232.1990496
Exact Mass
232.07111425
Charge
0
InChI
InChI=1S/C11H11F3O2/c1-7(15)8(2)16-10-5-3-4-9(6-10)11(12,13)14/h3-6,8H,1-2H3
InChIKey
RUTXCSFBVGGQFH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(Oc1cccc(c1)C(F)(F)F)C
Isomeric Smiles
c1(cccc(c1)OC(C(=O)C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
18.155592
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.069796
LogD (pH = 7.4)
3.069796
Log P
3.069796
Molar Refractivity
52.6245
Polarizability
19.624634
Polar Surface Area
26.3
Rotatable Bonds
4
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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