Molecule

ID:33342

General Information
Structure
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-4-14-11(13)10(3)12-7-5-6-9(2)8-12/h9-10H,4-8H2,1-3H3
InChIKey
GKPBXOVUKKLFKG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1CCCC(C1)C)C
Isomeric Smiles
N1(C(C(=O)OCC)C)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.19426247
LogD (pH = 7.4)
1.5012076
Log P
1.954958
Molar Refractivity
56.6979
Polarizability
22.55125
Polar Surface Area
29.54
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation