Molecule

ID:82183

General Information
Structure
Molecular Formula
C₁₅H₁₈Cl₂S₂
Molecular Mass
333.33942
Exact Mass
332.02269794
Charge
0
InChI
InChI=1S/C15H18Cl2S2/c1-8-12(14(6-16)10(3)18-8)5-13-9(2)19-11(4)15(13)7-17/h5-7H2,1-4H3
InChIKey
TZFDFYPEDJUAJT-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(C)sc(c1Cc1c(C)sc(c1CCl)C)C
Isomeric Smiles
s1c(c(c(c1C)CCl)Cc1c(sc(c1CCl)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.383851
LogD (pH = 7.4)
7.383851
Log P
7.383851
Molar Refractivity
89.9658
Polarizability
33.37487
Polar Surface Area
0.0
Rotatable Bonds
4
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