Molecule

ID:44285

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NOS
Molecular Mass
324.22494
Exact Mass
322.99384034
Charge
0
InChI
InChI=1S/C15H11Cl2NOS/c16-12-7-6-11(9-13(12)17)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19)
InChIKey
FTUPCPTWAJCIFE-UHFFFAOYSA-N
Canonic Smiles
S=C(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1ccccc1
Isomeric Smiles
C(=O)(C(=S)Cc1ccccc1)Nc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.576588
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.4324746
LogD (pH = 7.4)
5.4324718
Log P
5.4324746
Molar Refractivity
88.5894
Polarizability
33.845886
Polar Surface Area
29.1
Rotatable Bonds
4
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