Molecule

ID:91137

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂S
Molecular Mass
211.28072
Exact Mass
211.06669966
Charge
0
InChI
InChI=1S/C10H13NO2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7,11H2,1H3
InChIKey
NQTLLRXILJDONV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1ccccc1N
Isomeric Smiles
Nc1c(cccc1)SCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4381971
LogD (pH = 7.4)
1.4418417
Log P
1.4418885
Molar Refractivity
59.2672
Polarizability
22.646425
Polar Surface Area
52.32
Rotatable Bonds
5
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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