Molecule
ID:33174
General Information
Molecular Formula
C₁₀H₁₁NO₂S
Molecular Mass
209.26484
Exact Mass
209.0510496
Charge
0
InChI
InChI=1S/C10H11NO2S/c12-8-3-5-11(6-4-8)10(13)9-2-1-7-14-9/h1-2,7H,3-6H2
InChIKey
REOJKSKCKNLFCW-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)C(=O)c1cccs1
Isomeric Smiles
C(=O)(N1CCC(=O)CC1)c1sccc1
Calculated Properties
JChem
Acid pKa
18.900997
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1670829
LogD (pH = 7.4)
1.1670829
Log P
1.1670829
Molar Refractivity
54.2951
Polarizability
20.437357
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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