Molecule

ID:24841

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄O
Molecular Mass
128.13252
Exact Mass
128.0698109
Charge
0
InChI
InChI=1S/C4H8N4O/c1-5-2-3-6-4(9)8-7-3/h5H,2H2,1H3,(H2,6,7,8,9)
InChIKey
CGGFZXBCOXWUMI-UHFFFAOYSA-N
Canonic Smiles
CNCc1nc(=O)[nH][nH]1
Isomeric Smiles
n1c(=O)[nH][nH]c1CNC
Calculated Properties
JChem
Acid pKa
3.2009718
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.8305686
LogD (pH = 7.4)
-2.8335283
Log P
-2.829234
Molar Refractivity
41.7148
Polarizability
12.043969
Polar Surface Area
65.52
Rotatable Bonds
2
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