Molecule

ID:95007

General Information
Structure
Molecular Formula
C₁₂H₄F₆N₂
Molecular Mass
290.1639792
Exact Mass
290.02786746
Charge
0
InChI
InChI=1S/C12H4F6N2/c13-11(14,15)9-2-7(1-8(5-19)6-20)3-10(4-9)12(16,17)18/h1-4H
InChIKey
AEDPFRYJYDRZDR-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N
Isomeric Smiles
FC(c1cc(cc(c1)C(F)(F)F)C=C(C#N)C#N)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9282575
LogD (pH = 7.4)
3.9282575
Log P
3.9282575
Molar Refractivity
59.0402
Polarizability
19.94609
Polar Surface Area
47.58
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