Molecule

ID:99545

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃F₁₃O₂
Molecular Mass
460.2310616
Exact Mass
460.07079652
Charge
0
InChI
InChI=1S/C14H13F13O2/c1-2-8(28)29-7-5-3-4-6-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2H,1,3-7H2
InChIKey
WTZIOPYUTZFTHJ-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(CCCCCOC(=O)C=C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.608243
LogD (pH = 7.4)
6.608243
Log P
6.608243
Molar Refractivity
69.673
Polarizability
26.114418
Polar Surface Area
26.3
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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