Molecule

ID:116341

General Information
Structure
Molecular Formula
C₁₀H₁₂ClNO₃S₂
Molecular Mass
293.79018
Exact Mass
292.99471293
Charge
0
InChI
InChI=1S/C10H12ClNO3S2/c11-10(13)8-3-1-5-12(7-8)17(14,15)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2
InChIKey
MNKMVTYIWZGYED-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCCN(C1)S(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)Cl)CCC1)c1sccc1
Calculated Properties
JChem
Acid pKa
19.449894
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7354144
LogD (pH = 7.4)
1.7354144
Log P
1.7354144
Molar Refractivity
66.3614
Polarizability
26.715042
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