Molecule

ID:12099

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₃F₁₇
Molecular Mass
644.4916744
Exact Mass
644.2310808
Charge
0
InChI
InChI=1S/C24H33F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-16H2,1H3
InChIKey
FTECWCULPOFDJS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(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(CCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.90571
LogD (pH = 7.4)
12.90571
Log P
12.90571
Molar Refractivity
113.8921
Polarizability
42.565548
Polar Surface Area
0.0
Rotatable Bonds
22
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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