Molecule

ID:8258

General Information
Structure
Molecular Formula
C₈H₂F₁₆
Molecular Mass
402.0759312
Exact Mass
401.99010158
Charge
0
InChI
InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
InChIKey
JCRVQXKRULILSR-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
Isomeric Smiles
C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.485748
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3080525
LogD (pH = 7.4)
5.3080525
Log P
5.3080525
Molar Refractivity
39.0978
Polarizability
15.895516
Polar Surface Area
0.0
Rotatable Bonds
7
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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