Molecule

ID:116336

General Information
Structure
Molecular Formula
C₉H₉Cl₂NO₃S₂
Molecular Mass
314.20866
Exact Mass
312.94009051
Charge
0
InChI
InChI=1S/C9H9Cl2NO3S2/c10-7-3-4-8(16-7)17(14,15)12-5-1-2-6(12)9(11)13/h3-4,6H,1-2,5H2
InChIKey
GPGKMAXFXFFREL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCCN1S(=O)(=O)c1ccc(s1)Cl
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)Cl)CCC1)c1sc(cc1)Cl
Calculated Properties
JChem
Acid pKa
18.549995
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.372174
LogD (pH = 7.4)
2.372174
Log P
2.372174
Molar Refractivity
65.4691
Polarizability
26.928703
Polar Surface Area
54.45
Rotatable Bonds
2
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