Molecule

ID:42279

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₄
Molecular Mass
212.25048
Exact Mass
212.1061964
Charge
0
InChI
InChI=1S/C12H12N4/c1-8-4-3-5-11(9(8)2)16-12(14)10(6-13)7-15-16/h3-5,7H,14H2,1-2H3
InChIKey
PZTPZIBTGRHMFG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1cccc(c1C)C
Isomeric Smiles
n1(c(c(cn1)C#N)N)c1c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2022228
LogD (pH = 7.4)
2.2023666
Log P
2.2023683
Molar Refractivity
64.1774
Polarizability
23.906937
Polar Surface Area
67.63
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