Molecule

ID:81601

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO₂S
Molecular Mass
328.21364
Exact Mass
326.98875496
Charge
0
InChI
InChI=1S/C14H11Cl2NO2S/c1-8(18)14-11(17-13(19)7-15)6-12(20-14)9-2-4-10(16)5-3-9/h2-6H,7H2,1H3,(H,17,19)
InChIKey
RCHMWQVJVPKYQW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(sc1C(=O)C)c1ccc(cc1)Cl
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)Cl)NC(=O)CCl)C(=O)C
Calculated Properties
JChem
Acid pKa
11.618767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1168046
LogD (pH = 7.4)
4.1167803
Log P
4.116805
Molar Refractivity
82.692
Polarizability
32.28565
Polar Surface Area
46.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
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