Molecule

ID:52627

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₅
Molecular Mass
257.28296
Exact Mass
257.12632271
Charge
0
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
CWRFSVAKVCSOPI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(CC1=O)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(=O)C(C1)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.647201
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0736156
LogD (pH = 7.4)
1.0712285
Log P
1.0736461
Molar Refractivity
63.2739
Polarizability
24.95856
Polar Surface Area
72.91
Rotatable Bonds
5
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