Molecule

ID:60614

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄
Molecular Mass
96.09066
Exact Mass
96.04359615
Charge
0
InChI
InChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
InChIKey
KCZIUKYAJJEIQG-UHFFFAOYSA-N
Canonic Smiles
Nc1ncncn1
Isomeric Smiles
c1ncnc(n1)N
Calculated Properties
JChem
Acid pKa
15.565917
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.29513824
LogD (pH = 7.4)
-0.2944171
Log P
-0.2944079
Molar Refractivity
27.168
Polarizability
8.846189
Polar Surface Area
64.69
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