Molecule

ID:9141

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₁₃
Molecular Mass
430.2481416
Exact Mass
430.09661734
Charge
0
InChI
InChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3/b8-7+
InChIKey
JNMMIYWYYKPWFO-BQYQJAHWSA-N
Canonic Smiles
CCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(/C=C/CCCCCC)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.970563
LogD (pH = 7.4)
7.970563
Log P
7.970563
Molar Refractivity
68.6003
Polarizability
24.99513
Polar Surface Area
0.0
Rotatable Bonds
11
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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