Molecule

ID:93059

General Information
Structure
Molecular Formula
C₉H₁₃F₇O
Molecular Mass
270.1877424
Exact Mass
270.08546258
Charge
0
InChI
InChI=1S/C9H13F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6-17/h17H,1-6H2
InChIKey
GQUBVUFBTNFEHA-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
OCCCCCCC(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4871693
LogD (pH = 7.4)
3.4871693
Log P
3.4871693
Molar Refractivity
46.6345
Polarizability
17.156616
Polar Surface Area
20.23
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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