Molecule

ID:8229

General Information
Structure
Molecular Formula
C₉H₅F₁₃O₂
Molecular Mass
392.1140416
Exact Mass
392.00819626
Charge
0
InChI
InChI=1S/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKey
ZESCSNXJAROIJS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9148984
LogD (pH = 7.4)
4.9148984
Log P
4.9148984
Molar Refractivity
46.5116
Polarizability
18.132097
Polar Surface Area
26.3
Rotatable Bonds
8
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