Molecule

ID:97510

General Information
Structure
MolImage
Molecular Formula
C₆HClF₁₂
Molecular Mass
336.5059784
Exact Mass
335.95751635
Charge
0
InChI
InChI=1S/C6HClF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H
InChIKey
LENGESQCMOBFEV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.78676
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6022143
LogD (pH = 7.4)
4.6022143
Log P
4.6022143
Molar Refractivity
35.4863
Polarizability
14.001731
Polar Surface Area
0.0
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
暂无数据
点击上传数据
References
Bioactivity
Navigation