Molecule

ID:120481

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂Se
Molecular Mass
183.06936
Exact Mass
183.95396914
Charge
0
InChI
InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey
AYTPIVIDHMVGSX-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)n[se]n2
Isomeric Smiles
[se]1nc2c(n1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8856999
LogD (pH = 7.4)
1.8857
Log P
1.8857
Molar Refractivity
43.8995
Polarizability
11.764699
Polar Surface Area
25.78
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