Molecule

ID:9318

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃O₂
Molecular Mass
154.0872096
Exact Mass
154.02416406
Charge
0
InChI
InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3
InChIKey
VOKGSDIHTCTXDS-UHFFFAOYSA-N
Canonic Smiles
C=C(C(F)(F)F)OC(=O)C
Isomeric Smiles
O(C(=C)C(F)(F)F)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0978504
LogD (pH = 7.4)
1.0978504
Log P
1.0978504
Molar Refractivity
27.6256
Polarizability
10.19565
Polar Surface Area
26.3
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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