Molecule

ID:96885

General Information
Structure
MolImage
Molecular Formula
C₆H₉F₆N
Molecular Mass
209.1327792
Exact Mass
209.06391861
Charge
0
InChI
InChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2
InChIKey
BCJXLCSPWYKZAE-UHFFFAOYSA-N
Canonic Smiles
FC(CCNCCC(F)(F)F)(F)F
Isomeric Smiles
N(CCC(F)(F)F)CCC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2027136
LogD (pH = 7.4)
0.44408146
Log P
1.7913548
Molar Refractivity
34.4972
Polarizability
12.674924
Polar Surface Area
12.03
Rotatable Bonds
6
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