Molecule

ID:95119

General Information
Structure
MolImage
Molecular Formula
C₅H₉FO₂
Molecular Mass
120.1221632
Exact Mass
120.05865775
Charge
0
InChI
InChI=1S/C5H9FO2/c1-5(2,6)4(7)8-3/h1-3H3
InChIKey
OEGBOFOVYSOERL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(F)(C)C
Isomeric Smiles
O=C(OC)C(C)(C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9979222
LogD (pH = 7.4)
0.9979222
Log P
0.9979222
Molar Refractivity
26.6301
Polarizability
10.535091
Polar Surface Area
26.3
Rotatable Bonds
2
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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