Molecule

ID:29094

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H19Cl2NO/c1-2-3-11-21-14-9-7-13(8-10-14)12-20-16-6-4-5-15(18)17(16)19/h4-10,20H,2-3,11-12H2,1H3
InChIKey
VYTKMFCBQWUVKX-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNc1cccc(c1Cl)Cl
Isomeric Smiles
c1(c(NCc2ccc(cc2)OCCCC)cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
17.383211
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5444827
LogD (pH = 7.4)
5.54481
Log P
5.544814
Molar Refractivity
90.8108
Polarizability
34.703926
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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