Molecule
ID:116762
General Information
Molecular Formula
C₁₁H₁₁N₃O₅
Molecular Mass
265.22214
Exact Mass
265.06987047
Charge
0
InChI
InChI=1S/C11H11N3O5/c1-13-8-7(9(16)14(2)11(13)18)5(10(17)19-3)4-6(15)12-8/h4H,1-3H3,(H,12,15)
InChIKey
XYELLQRXGRPSIA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(=O)[nH]c2c1c(=O)n(C)c(=O)n2C
Isomeric Smiles
c12c(n(c(=O)n(c1=O)C)C)[nH]c(=O)cc2C(=O)OC
Calculated Properties
JChem
Acid pKa
8.855852
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0905646
LogD (pH = 7.4)
-1.1036078
Log P
-1.0903951
Molar Refractivity
72.5849
Polarizability
23.665897
Polar Surface Area
96.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...