Molecule

ID:115962

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-3-4-5-6-7-8-10(11(14)15)12-9(2)13/h3,10H,1,4-8H2,2H3,(H,12,13)(H,14,15)
InChIKey
ZVOCMVHWFJWMEB-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCCC(C(=O)O)NC(=O)C
Isomeric Smiles
C(=O)(C(NC(=O)C)CCCCCC=C)O
Calculated Properties
JChem
Acid pKa
4.3337812
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.48851803
LogD (pH = 7.4)
-1.2566308
Log P
1.6815131
Molar Refractivity
57.5142
Polarizability
22.48929
Polar Surface Area
66.4
Rotatable Bonds
8
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