Molecule

ID:11997

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₁₃I
Molecular Mass
488.0276516
Exact Mass
487.93066505
Charge
0
InChI
InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
InChIKey
REPFTMOJFHVIBT-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.493198
LogD (pH = 7.4)
6.493198
Log P
6.493198
Molar Refractivity
57.2544
Polarizability
22.535986
Polar Surface Area
0.0
Rotatable Bonds
7
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