Molecule

ID:33436

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c1-3-7-4-6-8-5(2)10-9-6/h7H,3-4H2,1-2H3
InChIKey
DZHVDMGWCAAKHK-UHFFFAOYSA-N
Canonic Smiles
CCNCc1noc(n1)C
Isomeric Smiles
n1c(noc1C)CNCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1718862
LogD (pH = 7.4)
0.19735457
Log P
0.34583145
Molar Refractivity
38.6221
Polarizability
14.278916
Polar Surface Area
50.95
Rotatable Bonds
3
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