Molecule

ID:20669

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrClNO
Molecular Mass
320.65306
Exact Mass
319.03385391
Charge
0
InChI
InChI=1S/C13H18BrNO.ClH/c1-10-4-5-13(12(14)7-10)16-9-11-3-2-6-15-8-11;/h4-5,7,11,15H,2-3,6,8-9H2,1H3;1H
InChIKey
HLNJZTCTQJNNAP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Br)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)C)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.021777034
LogD (pH = 7.4)
0.67936444
Log P
3.2436643
Molar Refractivity
70.0608
Polarizability
27.3368
Polar Surface Area
21.26
Rotatable Bonds
3
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