Molecule

ID:76596

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₈O₂
Molecular Mass
292.29714
Exact Mass
292.13962179
Charge
0
InChI
InChI=1S/C11H16N8O2/c12-9-11(16-21-15-9)19-7(8(10(13)20)14-17-19)6-18-4-2-1-3-5-18/h1-6H2,(H2,12,15)(H2,13,20)
InChIKey
FTFPHDBMZUGGQM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
Isomeric Smiles
n1c(n2nnc(c2CN2CCCCC2)C(=O)N)c(no1)N
Calculated Properties
JChem
Acid pKa
11.023356
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-1.7628366
LogD (pH = 7.4)
-0.5261463
Log P
-0.4247225
Molar Refractivity
77.7433
Polarizability
26.99984
Polar Surface Area
141.98
Rotatable Bonds
4
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