Molecule

ID:44348

General Information
Structure
Molecular Formula
C₁₀H₁₃NO₂S₂
Molecular Mass
243.34572
Exact Mass
243.03877066
Charge
0
InChI
InChI=1S/C10H13NO2S2/c1-14-10-5-3-9(4-6-10)11-7-2-8-15(11,12)13/h3-6H,2,7-8H2,1H3
InChIKey
QOOTVYRKLYAIHA-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)N1CCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)N(c2ccc(SC)cc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2389022
LogD (pH = 7.4)
1.2389022
Log P
1.2389022
Molar Refractivity
63.417
Polarizability
25.317333
Polar Surface Area
37.38
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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