Molecule

ID:65337

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(13)12-4-5-15-11(6-12)7-14-8-11/h4-8H2,1-3H3
InChIKey
UVTOWHCUNUQTLJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOC2(C1)COC2)OC(C)(C)C
Isomeric Smiles
C1CN(CC2(O1)COC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.63684946
LogD (pH = 7.4)
0.63684946
Log P
0.63684946
Molar Refractivity
57.3973
Polarizability
22.893213
Polar Surface Area
48.0
Rotatable Bonds
2
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