Molecule

ID:56228

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h10-11,13H,1-9H2
InChIKey
UQWOCKWHWBXITR-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)C1CCCCC1
Isomeric Smiles
N1(CC(CC1)CO)C1CCCCC1
Calculated Properties
JChem
Acid pKa
15.429264
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.125635
LogD (pH = 7.4)
-1.6628904
Log P
1.3650883
Molar Refractivity
54.8448
Polarizability
21.68083
Polar Surface Area
23.47
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