Molecule

ID:9005

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₁₅O
Molecular Mass
426.122148
Exact Mass
426.01008808
Charge
0
InChI
InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3H,1-2H2
InChIKey
NSHDLZDDSBGOKN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(CC1CO1)F
Isomeric Smiles
C(C(C(C(C(CC1OC1)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1803837
LogD (pH = 7.4)
5.1803837
Log P
5.1803837
Molar Refractivity
48.8977
Polarizability
19.135687
Polar Surface Area
12.53
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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