Molecule

ID:99029

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₅O
Molecular Mass
164.073916
Exact Mass
164.02605588
Charge
0
InChI
InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3
InChIKey
LUGFHDZVRRASHY-UHFFFAOYSA-N
Canonic Smiles
CC(OCC(F)(F)F)(F)F
Isomeric Smiles
O(CC(F)(F)F)C(F)(F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2570553
LogD (pH = 7.4)
2.2570553
Log P
2.2570553
Molar Refractivity
23.3215
Polarizability
8.612817
Polar Surface Area
9.23
Rotatable Bonds
3
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