Molecule

ID:100514

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃O
Molecular Mass
138.0878096
Exact Mass
138.02924944
Charge
0
InChI
InChI=1S/C5H5F3O/c6-4(5(7)8)1-3-2-9-3/h3H,1-2H2
InChIKey
KDYHEWWVSSJQHV-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)CC1OC1
Isomeric Smiles
O1C(C1)CC(=C(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7585714
LogD (pH = 7.4)
0.7585714
Log P
0.7585714
Molar Refractivity
35.9992
Polarizability
9.301026
Polar Surface Area
12.53
Rotatable Bonds
2
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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