Molecule

ID:62933

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-14-8-10(13)12-6-4-9-3-2-5-11-7-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKey
WQARNWKSJSVZAX-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)NCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(NCCC1CNCCC1)COC.Cl
Calculated Properties
JChem
Acid pKa
15.6673
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.6586518
LogD (pH = 7.4)
-3.0917366
Log P
-0.4318062
Molar Refractivity
55.3914
Polarizability
21.854008
Polar Surface Area
50.36
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