Molecule

ID:11983

General Information
Structure
MolImage
Molecular Formula
C₄HCl₃F₆O
Molecular Mass
285.3995592
Exact Mass
283.89971701
Charge
0
InChI
InChI=1S/C4HCl3F6O/c5-4(6,7)14-3(12,13)1(8)2(9,10)11/h1H
InChIKey
CPUOWSYOQOXXNZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(Cl)(Cl)Cl)(F)F)C(F)(F)F
Isomeric Smiles
O(C(F)(C(C(F)(F)F)F)F)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
14.963168
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.640092
LogD (pH = 7.4)
4.640092
Log P
4.640092
Molar Refractivity
19.9052
Polarizability
14.681944
Polar Surface Area
9.23
Rotatable Bonds
4
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