Molecule

ID:47105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO₃
Molecular Mass
253.76616
Exact Mass
253.14447131
Charge
0
InChI
InChI=1S/C11H23NO3.ClH/c1-13-5-6-14-7-8-15-10-11-3-2-4-12-9-11;/h11-12H,2-10H2,1H3;1H
InChIKey
QIHRPBGDVKMLHL-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCCOCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0527182
LogD (pH = 7.4)
-2.5377772
Log P
0.17651409
Molar Refractivity
59.9751
Polarizability
23.871704
Polar Surface Area
39.72
Rotatable Bonds
8
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