Molecule

ID:100893

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₄F₁₆O₄
Molecular Mass
714.5202112
Exact Mass
714.22016109
Charge
0
InChI
InChI=1S/C26H34F16O4/c1-15(2)45-17(43)11-7-5-9-13-19(27,28)21(31,32)23(35,36)25(39,40)26(41,42)24(37,38)22(33,34)20(29,30)14-10-6-8-12-18(44)46-16(3)4/h15-16H,5-14H2,1-4H3
InChIKey
RHCJMDCLMDAYDI-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)CCCCCC(C(C(C(C(C(C(C(CCCCCC(=O)OC(C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
Isomeric Smiles
C(CCCCC(=O)OC(C)C)C(F)(F)C(C(C(F)(F)C(C(C(C(CCCCCC(=O)OC(C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
9.832544
LogD (pH = 7.4)
9.832544
Log P
9.832544
Molar Refractivity
126.0908
Polarizability
48.165783
Polar Surface Area
52.6
Rotatable Bonds
23
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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