Molecule

ID:8233

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₁₃O₂
Molecular Mass
420.1672016
Exact Mass
420.03949639
Charge
0
InChI
InChI=1S/C11H9F13O2/c12-6(13,1-2-25-3-5-4-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2
InChIKey
DRSDQADBHIDJCU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOCC1OC1)F
Isomeric Smiles
O1C(COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.694429
LogD (pH = 7.4)
4.694429
Log P
4.694429
Molar Refractivity
54.9991
Polarizability
21.304607
Polar Surface Area
21.76
Rotatable Bonds
10
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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