Molecule

ID:47148

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-2-7-12-8-9-13-10-3-5-11-6-4-10;/h2,10-11H,1,3-9H2;1H
InChIKey
FBUFJMXCGDCPNE-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)OCCOCC=C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.767353
LogD (pH = 7.4)
-2.078946
Log P
0.45258194
Molar Refractivity
53.3751
Polarizability
21.08744
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