Molecule

ID:97587

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₉O
Molecular Mass
278.1155088
Exact Mass
278.03531882
Charge
0
InChI
InChI=1S/C7H7F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h17H,1-3H2
InChIKey
WHNVWOCZLNZDCM-UHFFFAOYSA-N
Canonic Smiles
OCCCC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(CCCO)(C(C(F)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.968374
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8541062
LogD (pH = 7.4)
2.8541062
Log P
2.8541062
Molar Refractivity
37.4995
Polarizability
13.972614
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
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References
Bioactivity
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