Molecule

ID:22249

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₃S
Molecular Mass
249.28564
Exact Mass
249.04596422
Charge
0
InChI
InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKey
JVMQLNXAPHLKDV-UHFFFAOYSA-N
Canonic Smiles
NS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1(ccc(cc1)Oc1ccccc1)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
10.398389
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0795588
LogD (pH = 7.4)
2.0791779
Log P
2.0795639
Molar Refractivity
64.4567
Polarizability
25.93085
Polar Surface Area
69.39
Rotatable Bonds
3
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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