Molecule

ID:97464

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₈O₆
Molecular Mass
350.1168656
Exact Mass
350.00366367
Charge
0
InChI
InChI=1S/C8H6F8O6/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h1-2H3
InChIKey
QSOLRJAJYGNQPD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C)C(=O)C(F)(F)OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3266404
LogD (pH = 7.4)
3.3266404
Log P
3.3266404
Molar Refractivity
48.3242
Polarizability
18.674055
Polar Surface Area
71.06
Rotatable Bonds
9
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