Molecule

ID:54672

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₂O₂
Molecular Mass
136.0967464
Exact Mass
136.03358587
Charge
0
InChI
InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
InChIKey
PLRCVBKYFLWAAT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(C1)(F)F
Isomeric Smiles
C1C(CC1C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
3.815539
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1993134
LogD (pH = 7.4)
-2.767302
Log P
0.48787537
Molar Refractivity
25.2397
Polarizability
9.584478
Polar Surface Area
37.3
Rotatable Bonds
1
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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