Molecule

ID:54375

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O₂
Molecular Mass
206.2013
Exact Mass
206.08037558
Charge
0
InChI
InChI=1S/C9H10N4O2/c1-10-9-11-7-5-6(13(14)15)3-4-8(7)12(9)2/h3-5H,1-2H3,(H,10,11)
InChIKey
TYXAEAOIWZOCSE-UHFFFAOYSA-N
Canonic Smiles
CNc1nc2c(n1C)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
c1(nc2c(n1C)ccc([N+](=O)[O-])c2)NC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3706816
LogD (pH = 7.4)
1.5767345
Log P
1.5801923
Molar Refractivity
56.857
Polarizability
21.252707
Polar Surface Area
75.67
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