Molecule

ID:29834

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₂
Molecular Mass
134.1487432
Exact Mass
134.07430781
Charge
0
InChI
InChI=1S/C6H11FO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
InChIKey
CJRQQJKWNULSFQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(F)(C)C
Isomeric Smiles
C(=O)(C(C)(C)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3547301
LogD (pH = 7.4)
1.3547301
Log P
1.3547301
Molar Refractivity
31.3787
Polarizability
12.342371
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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