Molecule

ID:11808

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₅O
Molecular Mass
190.111196
Exact Mass
190.04170594
Charge
0
InChI
InChI=1S/C6H7F5O/c1-2-3-12-4-5(7,8)6(9,10)11/h2H,1,3-4H2
InChIKey
OPCORXXVBOOEID-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC(C(F)(F)F)(F)F
Isomeric Smiles
C=CCOCC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5115383
LogD (pH = 7.4)
2.5115383
Log P
2.5115383
Molar Refractivity
32.2933
Polarizability
11.718643
Polar Surface Area
9.23
Rotatable Bonds
5
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
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References
Bioactivity
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