Molecule

ID:59065

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄
Molecular Mass
120.11206
Exact Mass
120.04359615
Charge
0
InChI
InChI=1S/C5H4N4/c6-4-9-5-7-2-1-3-8-5/h1-3H,(H,7,8,9)
InChIKey
DRYYOLGDWVJUCL-UHFFFAOYSA-N
Canonic Smiles
N#CNc1ncccn1
Isomeric Smiles
C(#N)Nc1ncccn1
Calculated Properties
JChem
Acid pKa
11.091716
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.18181504
LogD (pH = 7.4)
0.1817322
Log P
0.1818161
Molar Refractivity
33.821
Polarizability
11.395926
Polar Surface Area
61.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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