Molecule

ID:80217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃S
Molecular Mass
235.25906
Exact Mass
235.03031415
Charge
0
InChI
InChI=1S/C11H9NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChIKey
XZMIDORMXBMWTQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(n1c(ccc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6150074
LogD (pH = 7.4)
1.6150074
Log P
1.6150074
Molar Refractivity
60.2986
Polarizability
23.671537
Polar Surface Area
56.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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