Molecule
ID:123502
General Information
Molecular Formula
C₁₂H₉NO₂S
Molecular Mass
231.27036
Exact Mass
231.03539953
Charge
0
InChI
InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H
InChIKey
ZAYUOSICZWFJSW-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)c2ccccc2Nc2c1cccc2
Isomeric Smiles
S1(=O)(=O)c2c(Nc3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
13.9216
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3947604
LogD (pH = 7.4)
2.3947604
Log P
2.3947604
Molar Refractivity
62.0184
Polarizability
24.791695
Polar Surface Area
46.17
Rotatable Bonds
0
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
No Data Available
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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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