Molecule

ID:6463

General Information
Structure
Molecular Formula
C₆H₅F₉O
Molecular Mass
264.0889288
Exact Mass
264.01966876
Charge
0
InChI
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKey
DFUYAWQUODQGFF-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(OCC)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6858778
LogD (pH = 7.4)
3.6858778
Log P
3.6858778
Molar Refractivity
33.1123
Polarizability
12.399905
Polar Surface Area
9.23
Rotatable Bonds
5
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
References
Bioactivity
Navigation