Molecule
ID:85372
General Information
Molecular Formula
C₆H₆INO₂S
Molecular Mass
283.08681
Exact Mass
282.91639744
Charge
0
InChI
InChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
KQZFABSTXSNEQH-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)I)N
Calculated Properties
JChem
Acid pKa
9.679044
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5081956
LogD (pH = 7.4)
1.5062032
Log P
1.508221
Molar Refractivity
51.5784
Polarizability
20.95522
Polar Surface Area
60.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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