Molecule

ID:69234

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂S
Molecular Mass
219.25966
Exact Mass
219.03539953
Charge
0
InChI
InChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H
InChIKey
MPTVNPMFAZVTJG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccn1)c1ccccc1
Isomeric Smiles
c1(ccccn1)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3048656
LogD (pH = 7.4)
2.3048656
Log P
2.3048656
Molar Refractivity
57.7468
Polarizability
23.49289
Polar Surface Area
47.03
Rotatable Bonds
2
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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