Molecule

ID:8595

General Information
Structure
Molecular Formula
C₆H₉FO₃
Molecular Mass
148.1322632
Exact Mass
148.05357237
Charge
0
InChI
InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
InChIKey
SHTFQLHOTAJQRJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C)F
Isomeric Smiles
O=C(C(C(=O)C)F)OCC
Calculated Properties
JChem
Acid pKa
8.694438
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9101997
LogD (pH = 7.4)
0.88899094
Log P
0.6771436
Molar Refractivity
31.7027
Polarizability
12.5239
Polar Surface Area
43.37
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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