Molecule

ID:7397

General Information
Structure
Molecular Formula
C₅H₉F₃O
Molecular Mass
142.1195696
Exact Mass
142.06054957
Charge
0
InChI
InChI=1S/C5H9F3O/c1-4(3-9)2-5(6,7)8/h4,9H,2-3H2,1H3
InChIKey
SSXCXTKPQAFQAP-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(F)(F)F)C
Isomeric Smiles
OCC(CC(F)(F)F)C
Calculated Properties
JChem
Acid pKa
15.464673
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3604563
LogD (pH = 7.4)
1.3604563
Log P
1.3604563
Molar Refractivity
27.3898
Polarizability
10.141085
Polar Surface Area
20.23
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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