Molecule

ID:15966

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₃
Molecular Mass
236.22728
Exact Mass
236.09094026
Charge
0
InChI
InChI=1S/C10H12N4O3/c15-14(16)10-3-1-2-9(8-10)11-12-13-4-6-17-7-5-13/h1-3,8H,4-7H2/b12-11+
InChIKey
RBHSPYCALQCWNC-VAWYXSNFSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)/N=N/N1CCOCC1
Isomeric Smiles
C1CN(CCO1)/N=N/c1cc(ccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.088283
LogD (pH = 7.4)
2.088283
Log P
2.088283
Molar Refractivity
65.1953
Polarizability
22.693542
Polar Surface Area
83.01
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