Molecule

ID:98817

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₁₇O
Molecular Mass
476.1296544
Exact Mass
476.00689452
Charge
0
InChI
InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2
InChIKey
HMXSIEIEXLGIET-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F
Isomeric Smiles
FC(F)(C(F)(C(C(C(CC1CO1)(F)F)(F)F)(F)F)F)C(C(F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.1426897
LogD (pH = 7.4)
6.1426897
Log P
6.1426897
Molar Refractivity
53.2916
Polarizability
21.04262
Polar Surface Area
9.23
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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