Molecule

ID:12085

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁F₁₃
Molecular Mass
460.3171816
Exact Mass
460.14356753
Charge
0
InChI
InChI=1S/C16H21F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-10H2,1H3
InChIKey
FEBCMJRMESQQMH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(F)(F)F)(C(C(C(C(CCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.837013
LogD (pH = 7.4)
8.837013
Log P
8.837013
Molar Refractivity
76.9501
Polarizability
28.654099
Polar Surface Area
0.0
Rotatable Bonds
14
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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