Molecule

ID:46254

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H18ClNO.ClH/c18-15-6-7-17(20-12-13-8-9-19-11-13)16(10-15)14-4-2-1-3-5-14;/h1-7,10,13,19H,8-9,11-12H2;1H
InChIKey
PQJJLSWOCIWOFR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1ccccc1)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)Cl)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5286185
LogD (pH = 7.4)
0.68722844
Log P
3.7681916
Molar Refractivity
82.7368
Polarizability
33.856037
Polar Surface Area
21.26
Rotatable Bonds
4
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