Molecule

ID:98741

General Information
Structure
MolImage
Molecular Formula
C₁₆F₃₄
Molecular Mass
838.1169088
Exact Mass
837.94570948
Charge
0
InChI
InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50
InChIKey
AQPUCGPFMVEJGS-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)(F)C(F)(C(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.890716
LogD (pH = 7.4)
11.890716
Log P
11.890716
Molar Refractivity
78.2212
Polarizability
31.637966
Polar Surface Area
0.0
Rotatable Bonds
15
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
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References
Bioactivity
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