Molecule

ID:22267

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂
Molecular Mass
122.0998232
Exact Mass
122.02802633
Charge
0
InChI
InChI=1S/C6H3FN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChIKey
VRLVOMUVHHHJHB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1)F
Isomeric Smiles
c1(ccc(cn1)C#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1483022
LogD (pH = 7.4)
1.1483022
Log P
1.1483022
Molar Refractivity
30.8538
Polarizability
10.979311
Polar Surface Area
36.68
Rotatable Bonds
0
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