Molecule

ID:11748

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃O₂
Molecular Mass
154.0872096
Exact Mass
154.02416406
Charge
0
InChI
InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
InChIKey
SKCBKBCACWDALV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(CC1)C(F)(F)F
Isomeric Smiles
C1CC1(C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.2583687
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7453951
LogD (pH = 7.4)
-1.9576991
Log P
1.4768919
Molar Refractivity
25.4764
Polarizability
9.61289
Polar Surface Area
37.3
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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