Molecule

ID:8870

General Information
Structure
MolImage
Molecular Formula
C₁₆F₃₀O₃
Molecular Mass
810.121496
Exact Mass
809.93684046
Charge
0
InChI
InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
InChIKey
NBEDTLDKOMPAQK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(=O)OC(=O)C(C(C(C(C(C(C(F)(F)F)(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)
10.359851
LogD (pH = 7.4)
10.359851
Log P
10.359851
Molar Refractivity
80.1184
Polarizability
32.37363
Polar Surface Area
43.37
Rotatable Bonds
16
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
References
Bioactivity
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