Molecule

ID:97939

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₁₃O
Molecular Mass
404.1678016
Exact Mass
404.04458177
Charge
0
InChI
InChI=1S/C11H9F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-5H2
InChIKey
GPVGUNIIVWJTLK-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(C(F)(C(F)(F)C(F)(F)C(F)(F)CCOCC=C)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.584412
LogD (pH = 7.4)
5.584412
Log P
5.584412
Molar Refractivity
55.4171
Polarizability
20.81702
Polar Surface Area
9.23
Rotatable Bonds
10
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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