Molecule

ID:60418

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-8-5-3-2-4-9-6(5)7/h2-4,8H,1H3,(H2,7,9)
InChIKey
TZRRONMICPMDGT-UHFFFAOYSA-N
Canonic Smiles
CNc1cccnc1N
Isomeric Smiles
c1(ncccc1NC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3528497
LogD (pH = 7.4)
-0.2826095
Log P
-0.0061169076
Molar Refractivity
39.1088
Polarizability
13.549183
Polar Surface Area
50.94
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