Molecule

ID:72328

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₃
Molecular Mass
183.16466
Exact Mass
183.06439116
Charge
0
InChI
InChI=1S/C7H9N3O3/c1-9-5(8)4(3-11)6(12)10(2)7(9)13/h3H,8H2,1-2H3
InChIKey
LGXGZORRPBTMAO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(N)n(C)c(=O)n(c1=O)C
Isomeric Smiles
n1(c(=O)n(c(c(c1=O)C=O)N)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4806149
LogD (pH = 7.4)
-1.4805127
Log P
-1.4805114
Molar Refractivity
53.8476
Polarizability
16.43746
Polar Surface Area
83.71
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