Molecule

ID:116343

General Information
Structure
Molecular Formula
C₁₀H₁₂ClNO₃S₂
Molecular Mass
293.79018
Exact Mass
292.99471293
Charge
0
InChI
InChI=1S/C10H12ClNO3S2/c11-10(13)8-4-1-2-6-12(8)17(14,15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2
InChIKey
YGXIEGGMJPGGPB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCCCN1S(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)Cl)CCCC1)c1sccc1
Calculated Properties
JChem
Acid pKa
18.725227
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.046702
LogD (pH = 7.4)
2.046702
Log P
2.046702
Molar Refractivity
66.1054
Polarizability
26.71639
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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