Molecule

ID:21007

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₂
Molecular Mass
195.68702
Exact Mass
195.1026065
Charge
0
InChI
InChI=1S/C8H17NO2.ClH/c1-2-10-5-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKey
XBYJWDZOXOZUAO-UHFFFAOYSA-N
Canonic Smiles
CCOCCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCOCC)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2159886
LogD (pH = 7.4)
-2.8350072
Log P
0.018180331
Molar Refractivity
44.0956
Polarizability
17.64941
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