Molecule

ID:10330

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁F₅O
Molecular Mass
276.286556
Exact Mass
276.15125639
Charge
0
InChI
InChI=1S/C12H21F5O/c1-2-3-4-5-6-7-8-9-10(18)11(13,14)12(15,16)17/h10,18H,2-9H2,1H3
InChIKey
YFCKZQQCWZNEFP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(C(C(F)(F)F)(F)F)O
Isomeric Smiles
CCCCCCCCCC(C(C(F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
12.311741
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.18824
LogD (pH = 7.4)
5.188235
Log P
5.18824
Molar Refractivity
59.5292
Polarizability
22.44509
Polar Surface Area
20.23
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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