Molecule

ID:117714

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12-5-3-9(4-6-12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKey
VRAMYYGDTFWZHI-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)N1CCC(CC1)C(=O)O)C
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)OCC(C)C
Calculated Properties
JChem
Acid pKa
4.039904
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.117441095
LogD (pH = 7.4)
-1.7819675
Log P
1.3537687
Molar Refractivity
58.009
Polarizability
22.755922
Polar Surface Area
66.84
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