Molecule

ID:12100

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉F₁₇
Molecular Mass
616.4385144
Exact Mass
616.19978067
Charge
0
InChI
InChI=1S/C22H29F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h2-14H2,1H3
InChIKey
IWIJPSWAAIRVQF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(CCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.016573
LogD (pH = 7.4)
12.016573
Log P
12.016573
Molar Refractivity
104.6901
Polarizability
39.119095
Polar Surface Area
0.0
Rotatable Bonds
20
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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