Molecule

ID:88043

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3
InChIKey
RRXUQLWWJFBPKT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(C)CCN1C
Isomeric Smiles
N1(CC(C(=O)OCC)N(C)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.8830335
LogD (pH = 7.4)
-0.19948363
Log P
0.22993065
Molar Refractivity
51.3858
Polarizability
20.40019
Polar Surface Area
32.78
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