Molecule

ID:22087

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₄O₂
Molecular Mass
208.21718
Exact Mass
208.09602564
Charge
0
InChI
InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKey
HSAKGWZDXDRYTB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1N1CCNCC1
Isomeric Smiles
[N+](=O)(c1c(N2CCNCC2)nccc1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.038751
LogD (pH = 7.4)
-0.42094415
Log P
0.8621306
Molar Refractivity
56.7233
Polarizability
20.642433
Polar Surface Area
73.98
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