Molecule

ID:85874

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₄S
Molecular Mass
251.25846
Exact Mass
251.02522877
Charge
0
InChI
InChI=1S/C11H9NO4S/c12-17(14,15)10-3-1-2-8(6-10)11-5-4-9(7-13)16-11/h1-7H,(H2,12,14,15)
InChIKey
ALJNYCGSRQOCAN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cccc(c1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cccc(c1)c1ccc(o1)C=O)N
Calculated Properties
JChem
Acid pKa
10.040279
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.91924095
LogD (pH = 7.4)
0.9183723
Log P
0.91925204
Molar Refractivity
62.2045
Polarizability
25.338238
Polar Surface Area
90.37
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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