Molecule

ID:28427

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₄
Molecular Mass
199.16406
Exact Mass
199.05930578
Charge
0
InChI
InChI=1S/C7H9N3O4/c1-4-5(10(13)14)6(11)9(3)7(12)8(4)2/h1-3H3
InChIKey
OSTDULKDQDIIKB-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)c(C)c(c(=O)n1C)[N+](=O)[O-]
Isomeric Smiles
c1(c(=O)n(c(=O)n(c1C)C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.44487792
LogD (pH = 7.4)
-0.44487792
Log P
-0.44487792
Molar Refractivity
47.8755
Polarizability
17.207966
Polar Surface Area
86.44
Rotatable Bonds
1
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