Molecule

ID:70306

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₅
Molecular Mass
203.19252
Exact Mass
203.07937252
Charge
0
InChI
InChI=1S/C8H13NO5/c1-3-13-6(10)5-9-7(11)8(12)14-4-2/h3-5H2,1-2H3,(H,9,11)
InChIKey
WFXMDHFQXBWTSB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)C(=O)OCC
Isomeric Smiles
C(=O)(C(=O)NCC(=O)OCC)OCC
Calculated Properties
JChem
Acid pKa
11.329665
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13029802
LogD (pH = 7.4)
-0.13034269
Log P
-0.13029745
Molar Refractivity
46.2775
Polarizability
18.391727
Polar Surface Area
81.7
Rotatable Bonds
7
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