Molecule
ID:93094
General Information
Molecular Formula
C₁₄H₁₆F₁₃I
Molecular Mass
558.1605516
Exact Mass
558.00891537
Charge
0
InChI
InChI=1S/C14H16F13I/c1-2-3-4-5-6-8(28)7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,2-7H2,1H3
InChIKey
GVWXUPPPAHSALU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
FC(F)(F)C(C(C(F)(F)C(F)(F)C(F)(F)CC(CCCCCC)I)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.793995
LogD (pH = 7.4)
8.793995
Log P
8.793995
Molar Refractivity
80.1824
Polarizability
30.81563
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...