Molecule

ID:62019

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₄
Molecular Mass
227.25698
Exact Mass
227.11575803
Charge
0
InChI
InChI=1S/C11H17NO4/c1-8(13)12-5-3-9(4-6-12)10(14)7-11(15)16-2/h9H,3-7H2,1-2H3
InChIKey
PDGSEACGTNCSDG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(C(=O)CC(=O)OC)CC1
Calculated Properties
JChem
Acid pKa
10.382595
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.091249384
LogD (pH = 7.4)
0.09080428
Log P
-0.14207752
Molar Refractivity
57.3055
Polarizability
22.389555
Polar Surface Area
63.68
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