Molecule

ID:12095

General Information
Structure
MolImage
Molecular Formula
C₈F₁₆
Molecular Mass
400.0600512
Exact Mass
399.97445152
Charge
0
InChI
InChI=1S/C8F16/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey
YCBPKOZNGFQMPB-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(F)F)(C(C(C(C(C(C(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)
5.3156548
LogD (pH = 7.4)
5.3156548
Log P
5.3156548
Molar Refractivity
51.1792
Polarizability
15.671421
Polar Surface Area
0.0
Rotatable Bonds
6
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