Molecule

ID:39672

General Information
Structure
Molecular Formula
C₁₂H₆ClFN₂
Molecular Mass
232.6408432
Exact Mass
232.0203541
Charge
0
InChI
InChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
InChIKey
VJYNNRPTVYPCCS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1Cl)c1ccc(cc1)F
Isomeric Smiles
n1c(c(ccc1c1ccc(cc1)F)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.611669
LogD (pH = 7.4)
3.611669
Log P
3.611669
Molar Refractivity
60.4694
Polarizability
23.806522
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