Molecule
ID:41426
General Information
Molecular Formula
C₁₁H₁₀N₂O₂S
Molecular Mass
234.2743
Exact Mass
234.04629857
Charge
0
InChI
InChI=1S/C11H10N2O2S/c12-10-7-4-8-13-11(10)16(14,15)9-5-2-1-3-6-9/h1-8H,12H2
InChIKey
BBHHCKVRKHMIKT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ncccc1N)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4759396
LogD (pH = 7.4)
1.4759396
Log P
1.4759396
Molar Refractivity
62.4472
Polarizability
24.638737
Polar Surface Area
73.05
Rotatable Bonds
2
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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