Molecule

ID:8019

General Information
Structure
Molecular Formula
C₇H₁₁F₃O₂
Molecular Mass
184.1562496
Exact Mass
184.07111425
Charge
0
InChI
InChI=1S/C7H11F3O2/c1-3-12-6(11)5(2)4-7(8,9)10/h5H,3-4H2,1-2H3
InChIKey
ANNZGOFOWCNVBU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CC(F)(F)F)C
Isomeric Smiles
O=C(C(CC(F)(F)F)C)OCC
Calculated Properties
JChem
Acid pKa
19.659056
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1576087
LogD (pH = 7.4)
2.1576087
Log P
2.1576087
Molar Refractivity
36.7471
Polarizability
13.958455
Polar Surface Area
26.3
Rotatable Bonds
5
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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