Molecule

ID:67064

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₆
Molecular Mass
247.24508
Exact Mass
247.10558727
Charge
0
InChI
InChI=1S/C10H17NO6/c1-5-16-8(14)6(7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)
InChIKey
JLNKUZUBBRTYOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(C(C(=O)O)NC(=O)OC(C)(C)C)OCC
Calculated Properties
JChem
Acid pKa
3.5641503
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0882813
LogD (pH = 7.4)
-2.5135756
Log P
0.84164184
Molar Refractivity
56.3742
Polarizability
22.54816
Polar Surface Area
101.93
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