Molecule

ID:90174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂S
Molecular Mass
211.28072
Exact Mass
211.06669966
Charge
0
InChI
InChI=1S/C10H13NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
DSWRVRWIXRRDLN-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)N1CCCC1
Isomeric Smiles
N1(CCCC1)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4324262
LogD (pH = 7.4)
1.4324262
Log P
1.4324262
Molar Refractivity
55.5503
Polarizability
22.242247
Polar Surface Area
37.38
Rotatable Bonds
1
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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