Molecule

ID:50981

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃N₂
Molecular Mass
206.5523896
Exact Mass
205.98586041
Charge
0
InChI
InChI=1S/C7H2ClF3N2/c8-6-4(3-12)5(1-2-13-6)7(9,10)11/h1-2H
InChIKey
FCYFQKPMNQFMKA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nccc1C(F)(F)F
Isomeric Smiles
c1(c(C(F)(F)F)ccnc1Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.31374
LogD (pH = 7.4)
2.31374
Log P
2.31374
Molar Refractivity
41.4625
Polarizability
14.669605
Polar Surface Area
36.68
Rotatable Bonds
1
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