Molecule

ID:54938

General Information
Structure
MolImage
Molecular Formula
C₅H₇FO₄
Molecular Mass
150.1050832
Exact Mass
150.03283692
Charge
0
InChI
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChIKey
ZVXHZSXYHFBIEW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)F
Isomeric Smiles
C(=O)(C(C(=O)OC)F)OC
Calculated Properties
JChem
Acid pKa
11.541377
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.13660376
LogD (pH = 7.4)
0.13657282
Log P
0.13660416
Molar Refractivity
28.1721
Polarizability
11.53164
Polar Surface Area
52.6
Rotatable Bonds
4
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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