Molecule

ID:12165

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₁₅O
Molecular Mass
414.111448
Exact Mass
414.01008808
Charge
0
InChI
InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3
InChIKey
HHBBIOLEJRWIGU-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F
Isomeric Smiles
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)OCC)(C(F)(F)F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.562871
LogD (pH = 7.4)
5.562871
Log P
5.562871
Molar Refractivity
47.364
Polarizability
18.126947
Polar Surface Area
9.23
Rotatable Bonds
8
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
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References
Bioactivity
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