Molecule

ID:12172

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₃O
Molecular Mass
140.1036896
Exact Mass
140.0448995
Charge
0
InChI
InChI=1S/C5H7F3O/c6-4(5(7)8)2-1-3-9/h9H,1-3H2
InChIKey
FQJKNDRBOYATRC-UHFFFAOYSA-N
Canonic Smiles
OCCCC(=C(F)F)F
Isomeric Smiles
C(O)CCC(=C(F)F)F
Calculated Properties
JChem
Acid pKa
15.958965
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7445654
LogD (pH = 7.4)
0.7445654
Log P
0.7445654
Molar Refractivity
38.1914
Polarizability
9.89533
Polar Surface Area
20.23
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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