Molecule

ID:10329

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁F₃O
Molecular Mass
226.2790496
Exact Mass
226.15444995
Charge
0
InChI
InChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h10,15H,2-9H2,1H3
InChIKey
FBHJYJKWINPBSZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(C(F)(F)F)O
Isomeric Smiles
CCCCCCCCCC(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
11.408001
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4875965
LogD (pH = 7.4)
4.4875546
Log P
4.4875975
Molar Refractivity
54.8612
Polarizability
20.869843
Polar Surface Area
20.23
Rotatable Bonds
9
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
No Data Available
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Molecule Details
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References
Bioactivity
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