Molecule

ID:15297

General Information
Structure
MolImage
Molecular Formula
C₅H₉F₃O
Molecular Mass
142.1195696
Exact Mass
142.06054957
Charge
0
InChI
InChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKey
WNHMIKSCDKSJDI-UHFFFAOYSA-N
Canonic Smiles
OCCCCC(F)(F)F
Isomeric Smiles
C(CCCC(F)(F)F)O
Calculated Properties
JChem
Acid pKa
16.843754
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4400522
LogD (pH = 7.4)
1.4400522
Log P
1.4400522
Molar Refractivity
27.5192
Polarizability
10.141082
Polar Surface Area
20.23
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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