Molecule

ID:11969

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₇O
Molecular Mass
228.1080024
Exact Mass
228.03851238
Charge
0
InChI
InChI=1S/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2
InChIKey
VACKBPFJJWRSAO-UHFFFAOYSA-N
Canonic Smiles
OCCCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(CO)CC(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.96385
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1864254
LogD (pH = 7.4)
2.1864254
Log P
2.1864254
Molar Refractivity
32.6678
Polarizability
12.0876665
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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