Molecule

ID:99337

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₇O
Molecular Mass
228.1080024
Exact Mass
228.03851238
Charge
0
InChI
InChI=1S/C6H7F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h14H,1-3H2
InChIKey
NMPABPRKIBGSGW-UHFFFAOYSA-N
Canonic Smiles
OCCCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(F)C(C(F)(F)F)(F)CCCO
Calculated Properties
JChem
Acid pKa
15.968215
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1534634
LogD (pH = 7.4)
2.1534634
Log P
2.1534634
Molar Refractivity
32.8315
Polarizability
12.090782
Polar Surface Area
20.23
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
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Molecule Details
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References
Bioactivity
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