Molecule

ID:93587

General Information
Structure
MolImage
Molecular Formula
C₆BrF₁₁O₂
Molecular Mass
392.9494352
Exact Mass
391.89060166
Charge
0
InChI
InChI=1S/C6BrF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
VGIQWXOXDRXVKV-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)(C(F)(F)F)F)(F)F)C(C(=O)Br)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6796813
LogD (pH = 7.4)
4.6796813
Log P
4.6796813
Molar Refractivity
41.5946
Polarizability
16.335865
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
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