Molecule

ID:116333

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃S₂
Molecular Mass
293.79018
Exact Mass
292.99471293
Charge
0
InChI
InChI=1S/C10H12ClNO3S2/c11-10(13)8-3-5-12(6-4-8)17(14,15)9-2-1-7-16-9/h1-2,7-8H,3-6H2
InChIKey
OOODIBXOAOHQFI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(c1sccc1)N1CCC(C(=O)Cl)CC1
Calculated Properties
JChem
Acid pKa
19.242168
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5795069
LogD (pH = 7.4)
1.5795069
Log P
1.5795069
Molar Refractivity
66.5154
Polarizability
26.714937
Polar Surface Area
54.45
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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