Molecule

ID:47153

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-11-7-2-8-12-9-3-5-10-6-4-9;/h9-10H,2-8H2,1H3;1H
InChIKey
WXGIHEMNGKCOGU-UHFFFAOYSA-N
Canonic Smiles
COCCCOC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)OCCCOC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4386432
LogD (pH = 7.4)
-2.7502372
Log P
-0.21870814
Molar Refractivity
49.0778
Polarizability
19.48863
Polar Surface Area
30.49
Rotatable Bonds
5
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