Molecule

ID:61717

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃
Molecular Mass
227.30004
Exact Mass
227.15214354
Charge
0
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-5-12(7-13)8-15-9-12/h4-9H2,1-3H3
InChIKey
NJHHTWIPJPGHQB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2(C1)COC2)OC(C)(C)C
Isomeric Smiles
C1OCC21CN(CCC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2838156
LogD (pH = 7.4)
1.2838156
Log P
1.2838156
Molar Refractivity
60.7395
Polarizability
23.992323
Polar Surface Area
38.77
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