Molecule

ID:57322

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₃O₂
Molecular Mass
159.18632
Exact Mass
159.10077667
Charge
0
InChI
InChI=1S/C6H13N3O2/c7-8-6(10)5-9-1-3-11-4-2-9/h1-5,7H2,(H,8,10)
InChIKey
YCEXZVLTZDWEFH-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CN1CCOCC1
Isomeric Smiles
C(=O)(CN1CCOCC1)NN
Calculated Properties
JChem
Acid pKa
12.714917
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0828707
LogD (pH = 7.4)
-1.6628975
Log P
-1.653766
Molar Refractivity
41.4535
Polarizability
15.954764
Polar Surface Area
67.59
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