Molecule

ID:42346

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO₂S
Molecular Mass
281.75788
Exact Mass
281.02772731
Charge
0
InChI
InChI=1S/C13H12ClNO2S/c1-3-17-13(16)11-8(2)15-12(18-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKey
GQDMHBKOGBVDJU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)c1ccc(cc1)Cl
Isomeric Smiles
c1(sc(nc1C)c1ccc(cc1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.884945
LogD (pH = 7.4)
3.884948
Log P
3.884948
Molar Refractivity
82.3223
Polarizability
28.316095
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
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