Molecule

ID:46330

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-2-11-5-6-12-8-9-3-4-10-7-9;/h9-10H,2-8H2,1H3;1H
InChIKey
HAELQRSUFAIEPB-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCOCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.104749
LogD (pH = 7.4)
-2.9981394
Log P
0.13572888
Molar Refractivity
49.0792
Polarizability
19.48863
Polar Surface Area
30.49
Rotatable Bonds
6
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