Molecule

ID:56633

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-2-9-3-4-12-10(7-9)11(16(18)20)8-13(19-12)14-5-6-15(17)21-14/h3-8H,2H2,1H3
InChIKey
WXFHTORNLNVNRN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)Cl)c1)ccc(c2)CC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.860067
LogD (pH = 7.4)
5.8600674
Log P
5.8600674
Molar Refractivity
86.355
Polarizability
35.82767
Polar Surface Area
29.96
Rotatable Bonds
3
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