Molecule

ID:10292

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₉O
Molecular Mass
278.1155088
Exact Mass
278.03531882
Charge
0
InChI
InChI=1S/C7H7F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,1-3H2
InChIKey
OVBNEUIFHDEQHD-UHFFFAOYSA-N
Canonic Smiles
OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(CCCO)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
15.963852
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8870683
LogD (pH = 7.4)
2.8870683
Log P
2.8870683
Molar Refractivity
37.3358
Polarizability
13.969343
Polar Surface Area
20.23
Rotatable Bonds
6
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
References
Bioactivity
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