Molecule

ID:98978

General Information
Structure
MolImage
Molecular Formula
C₉BrF₁₉
Molecular Mass
548.9699608
Exact Mass
547.88799818
Charge
0
InChI
InChI=1S/C9BrF19/c10-6(19,20)1(11,7(21,22)23)3(13,14)5(17,18)4(15,16)2(12,8(24,25)26)9(27,28)29
InChIKey
IAAGCYUINJEWTK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Br)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(C(F)(F)F)(F)C(F)(C(F)(F)C(F)(C(C(Br)(F)F)(F)C(F)(F)F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.8199487
LogD (pH = 7.4)
6.8199487
Log P
6.8199487
Molar Refractivity
53.7367
Polarizability
21.28206
Polar Surface Area
0.0
Rotatable Bonds
8
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