Molecule

ID:14874

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13;/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3;1H
InChIKey
HGXBOWRDOMRBPF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CNCC1CCCO1.Cl
Isomeric Smiles
c1(c(cccc1)OCC)CNCC1CCCO1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.78250647
LogD (pH = 7.4)
0.8110025
Log P
2.1493204
Molar Refractivity
68.7725
Polarizability
27.226631
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