Molecule

ID:99871

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇F₁₃
Molecular Mass
432.2640216
Exact Mass
432.1122674
Charge
0
InChI
InChI=1S/C14H17F13/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/h2-8H2,1H3
InChIKey
WRYIIOKOQSICTB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(C(F)(F)C(C(C(C(CCCCCCCC)(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.9478755
LogD (pH = 7.4)
7.9478755
Log P
7.9478755
Molar Refractivity
67.7481
Polarizability
25.252796
Polar Surface Area
0.0
Rotatable Bonds
12
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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