Molecule

ID:58805

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃O₂
Molecular Mass
169.18114
Exact Mass
169.08512661
Charge
0
InChI
InChI=1S/C7H11N3O2/c1-5(2)9-4-7(10(11)12)6(3)8-9/h4-5H,1-3H3
InChIKey
DNAWRQUADBGXSR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(nc1C)C(C)C
Isomeric Smiles
n1(cc(c(n1)C)[N+](=O)[O-])C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2458249
LogD (pH = 7.4)
1.2458429
Log P
1.2458432
Molar Refractivity
56.045
Polarizability
16.284163
Polar Surface Area
63.64
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