Molecule

ID:84787

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂Cl₂O₂S
Molecular Mass
349.31568
Exact Mass
348.0717563
Charge
0
InChI
InChI=1S/C16H22Cl2O2S/c17-14-7-6-13(11-15(14)18)12-21-10-4-3-9-20-16-5-1-2-8-19-16/h6-7,11,16H,1-5,8-10,12H2
InChIKey
GOGXMMDKEWLTBV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)CSCCCCOC1CCCCO1
Isomeric Smiles
O1C(OCCCCSCc2ccc(c(c2)Cl)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3795004
LogD (pH = 7.4)
5.3795004
Log P
5.3795004
Molar Refractivity
91.7993
Polarizability
36.235996
Polar Surface Area
18.46
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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