Molecule

ID:47104

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₃
Molecular Mass
239.73958
Exact Mass
239.12882125
Charge
0
InChI
InChI=1S/C10H21NO3.ClH/c1-12-6-7-13-8-9-14-10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H
InChIKey
SGLZDLZFBKGGSB-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)OCCOCCOC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.5455782
LogD (pH = 7.4)
-2.8571713
Log P
-0.3256434
Molar Refractivity
55.2559
Polarizability
22.034855
Polar Surface Area
39.72
Rotatable Bonds
7
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