Molecule

ID:116230

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
OGKQGHXOQYDRAM-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(o1)c1ccc2c(c1)OCCO2
Isomeric Smiles
o1c(nnc1N)c1cc2c(OCCO2)cc1
Calculated Properties
JChem
Acid pKa
12.936415
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3479122
LogD (pH = 7.4)
0.34791118
Log P
0.34791237
Molar Refractivity
67.2163
Polarizability
21.214956
Polar Surface Area
83.4
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