Molecule

ID:61248

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O₂
Molecular Mass
206.2013
Exact Mass
206.08037558
Charge
0
InChI
InChI=1S/C9H10N4O2/c1-3-15-9(14)8-6(2)13-7(11-12-8)4-5-10-13/h4-5H,3H2,1-2H3
InChIKey
KUPXRESOEITXQM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc2n(c1C)ncc2
Isomeric Smiles
n1ccc2n1c(c(nn2)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.41888615
LogD (pH = 7.4)
0.41889906
Log P
0.41889924
Molar Refractivity
65.1885
Polarizability
19.633778
Polar Surface Area
69.38
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation