Molecule

ID:17032

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-11(2,10-13)9-12-7-5-3-4-6-8-12/h10H,3-9H2,1-2H3
InChIKey
GHKFJELKWCPRQO-UHFFFAOYSA-N
Canonic Smiles
O=CC(CN1CCCCCC1)(C)C
Isomeric Smiles
N1(CC(C=O)(C)C)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3188245
LogD (pH = 7.4)
-0.40367326
Log P
2.1404846
Molar Refractivity
55.6652
Polarizability
21.865639
Polar Surface Area
20.31
Rotatable Bonds
3
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