Molecule

ID:98682

General Information
Structure
MolImage
Molecular Formula
C₁₀HF₂₁
Molecular Mass
520.0814072
Exact Mass
519.97429265
Charge
0
InChI
InChI=1S/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H
InChIKey
DSNMEFYRPYNWJJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(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)F)F
Isomeric Smiles
FC(C(C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.1980987
LogD (pH = 7.4)
7.1980987
Log P
7.1980987
Molar Refractivity
49.3235
Polarizability
19.928232
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation