Molecule

ID:33596

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-2-12-5(11)3-4-8-6(7)10-9-4/h2-3H2,1H3,(H3,7,8,9,10)
InChIKey
NWORJPBMFMZKAQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1n[nH]c(n1)N
Isomeric Smiles
n1c(n[nH]c1N)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
7.403483
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.29945585
LogD (pH = 7.4)
0.037076082
Log P
0.32480094
Molar Refractivity
43.5794
Polarizability
15.642177
Polar Surface Area
93.89
Rotatable Bonds
4
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