Molecule

ID:42440

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₄
Molecular Mass
224.21328
Exact Mass
224.07970687
Charge
0
InChI
InChI=1S/C10H12N2O4/c1-3-16-10(15)6-4-12-9(14)7(5(6)2)8(11)13/h4H,3H2,1-2H3,(H2,11,13)(H,12,14)
InChIKey
PUJVCOBCWBMZRB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c[nH]c(=O)c(c1C)C(=O)N
Isomeric Smiles
c1(c(c(c(=O)[nH]c1)C(=O)N)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.228122
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.78839517
LogD (pH = 7.4)
-0.78895825
Log P
-0.7883871
Molar Refractivity
55.7407
Polarizability
21.227139
Polar Surface Area
98.49
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