Molecule

ID:34256

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNO₃S₂
Molecular Mass
281.77948
Exact Mass
280.99471293
Charge
0
InChI
InChI=1S/C9H12ClNO3S2/c10-7-8-9(1-6-15-8)16(12,13)11-2-4-14-5-3-11/h1,6H,2-5,7H2
InChIKey
QVRQULSURXMPRP-UHFFFAOYSA-N
Canonic Smiles
ClCc1sccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(c1c(scc1)CCl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3082517
LogD (pH = 7.4)
1.3082517
Log P
1.3082517
Molar Refractivity
63.8406
Polarizability
25.456715
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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